Pantothenic acid

Identification

Name
Pantothenic acid
Accession Number
DB01783
Description

Pantothenic acid, also called pantothenate or vitamin B5 (a B vitamin), is a water-soluble vitamin discovered by Roger J. Williams in 1919. For many animals, pantothenic acid is an essential nutrient as it is required to synthesize coenzyme-A (CoA), as well as to synthesize and metabolize proteins, carbohydrates, and fats. Pantothenic acid is the amide between pantoic acid and β-alanine and commonly found as its alcohol analog, the provitamin panthenol, and as calcium pantothenate. Small quantities of pantothenic acid are found in nearly every food, with high amounts in whole-grain cereals, legumes, eggs, meat, royal jelly, avocado, and yogurt. Pantothenic acid is an ingredient in some hair and skin care products. Only the dextrorotatory (D) isomer of pantothenic acid possesses biological activity. while the levorotatory (L) form may antagonize the effects of the dextrorotatory isomer.

Type
Small Molecule
Groups
Approved, Nutraceutical, Vet approved
Structure
Thumb
Weight
Average: 219.235
Monoisotopic: 219.110672659
Chemical Formula
C9H17NO5
Synonyms
  • (+)-Pantothenic acid
  • D-pantothenic acid
  • Pantothenate
  • Vitamin B5

Pharmacology

Pharmacology
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Indication

Studied for the treatment of many uses such as treatment of testicular torsion, diabetic ulceration, wound healing, acne, obesity, diabetic peripheral polyneuropathy. It has also been investigated for its hypolipidemic effects and as cholesterol lowering agent.

Associated Therapies
Contraindications & Blackbox Warnings
Contraindications
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Pharmacodynamics

Pantothenic acid is used in the synthesis of coenzyme A (CoA). CoA is thought to act as a carrier molecule, allowing the entry of acyl groups into cells. This is of critical importance as these acyl groups are used as substrates in the tricarboxylic acid cycle to generate energy and in the synthesis of fatty acids, cholesterol, and acetylcholine. Additionally, CoA is part of acyl carrier protein (ACP), which is required in the synthesis of fatty acids in addition to CoAs use as a substrate.

Pantothenic acid in the form of CoA is also required for acylation and acetylation, which, for example, are involved in signal transduction and enzyme activation and deactivation, respectively.

Since pantothenic acid participates in a wide array of key biological roles, it may have numerous wide-ranging effects.

Mechanism of action

Pantothenic acid is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.

TargetActionsOrganism
UPantothenate kinaseNot AvailableEscherichia coli (strain K12)
Absorption

Dietary pantothenic acid is primarily in the form of CoA or ACP and must be converted into free pantothenic acid for absorption. CoA and ACP are hydrolyzed into 4'-phosphopantetheine which is then dephosphorylated into pantetheine and subsequently hydrolyzed again to free pantothenic acid by Pantetheinase in the intestinal lumen. Free pantothenic acid is absorbed into intestinal cells via a saturable, sodium-dependent active transport system with passive diffusion acting as a secondary pathway. As intake increases up to 10-fold absorption rate can decrease to as low as 10% due to transporter saturation.

Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half-life
Not Available
Clearance
Not Available
Adverse Effects
Medicalerrors
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Toxicity

No Tolerable Upper Level Intake (UL) has been established for the vitamin.

Affected organisms
  • Humans and other mammals
Pathways
PathwayCategory
Carnosinuria, CarnosinemiaDisease
beta-Alanine MetabolismMetabolic
Pantothenate and CoA BiosynthesisMetabolic
GABA-Transaminase DeficiencyDisease
Ureidopropionase DeficiencyDisease
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
AbciximabThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Abciximab.
AcenocoumarolThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Acenocoumarol.
Acetylsalicylic acidThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Acetylsalicylic acid.
Alpha-1-proteinase inhibitorAlpha-1-proteinase inhibitor may increase the thrombogenic activities of Pantothenic acid.
AlteplaseThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Alteplase.
Aminocaproic acidThe risk or severity of adverse effects can be increased when Aminocaproic acid is combined with Pantothenic acid.
AncrodThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Ancrod.
AnistreplaseThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Anistreplase.
Antithrombin AlfaThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Antithrombin Alfa.
Antithrombin III humanThe therapeutic efficacy of Pantothenic acid can be decreased when used in combination with Antithrombin III human.
Interactions
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Food Interactions
No interactions found.

Products

Products
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Product Ingredients
IngredientUNIICASInChI Key
Calcium pantothenate568ET80C3D137-08-6FAPWYRCQGJNNSJ-UBKPKTQASA-L
Sodium pantothenateOES0R93F0C867-81-2GQTHJBOWLPZUOI-FJXQXJEOSA-M
Product Images
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Acti Pantothenic Acid 1000 Timed CapletTabletOralActi Form Ltd.1991-12-312005-03-21Canada flag
Acti-pantothenic Acid 300 Caplet 300mgTabletOralActi Form Ltd.1991-12-312005-03-21Canada flag
Calcium Pantothenate Tab 250mgTabletOralTrophic Canada Ltd.1991-12-311996-09-17Canada flag
Calpan Tab 100mgTabletOralIcn Pharmaceuticals1973-12-311998-08-13Canada flag
Calpan Tab 250mgTabletOralIcn Pharmaceuticals1973-12-311998-08-13Canada flag
D Pantothenic Acid Tab 100mgTabletOralGahler Enterprises Ltd.1984-12-312000-08-01Canada flag
D-pantothenic Acid 250mgCapsuleOralWn Pharmaceuticals Ltd.2001-10-072007-08-07Canada flag
D-pantothenic Acid 250mg CapCapsuleOralGahler Enterprises Ltd.1993-12-312008-07-17Canada flag
D'pantothenic Acid Srt 1000mgTablet, extended releaseOralGahler Enterprises Ltd.1981-12-312001-07-26Canada flag
Dr AngioTablet0.071 g/100gOralAngioLab, Inc.2015-05-042015-06-30US flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
24 Multivitamins + MineralsCalcium pantothenate (25 mg) + Ascorbic acid (150 mg) + Beta carotene (10000 unit) + Biotin (25 mcg) + Calcium (130 mg) + Cholecalciferol (400 unit) + Choline bitartrate (25 mg) + Chromium (20 mcg) + Copper (1 mg) + Cyanocobalamin (25 mcg) + Ferrous fumarate (15 mg) + Folic acid (.8 mg) + Inositol (25 mg) + Magnesium (65 mg) + Manganese (2 mg) + Molybdenum (20 mcg) + Niacin (25 mg) + Potassium (15 mg) + Potassium Iodide (.1 mg) + Pyridoxine hydrochloride (25 mg) + Racemethionine (25 mg) + Riboflavin (25 mg) + Selenium (20 mcg) + Thiamine hydrochloride (25 mg) + Vanadium (20 mcg) + Vitamin A palmitate (5000 unit) + Vitamin E (50 unit) + Zinc (10 mg)TabletOralStanley Pharmaceuticals, A Division Of Vita Health Products Inc.1997-04-302002-07-31Canada flag
50 PlusCalcium pantothenate (20 mg) + Ascorbic acid (200 mg) + Biotin (20 mcg) + Choline bitartrate (20 mg) + Cyanocobalamin (20 mcg) + Folic acid (.2 mg) + Inositol (20 mg) + Niacin (20 mg) + Pyridoxine hydrochloride (20 mg) + Racemethionine (20 mg) + Riboflavin (20 mg) + Thiamine hydrochloride (20 mg) + Vitamin A palmitate (10000 unit) + Vitamin D (400 unit) + Vitamin E (20 unit)TabletOralQuest Vitamins A Div Of Purity Life Health Products1998-08-042001-07-06Canada flag
50 Plus Multiple Vitamins & MineralsPantothenic acid (10 mg) + Ascorbic acid (90 mg) + Biotin (45 mcg) + Calcium (200 mg) + Cholecalciferol (400 unit) + Chromium (10 mcg) + Copper (2 mg) + Cyanocobalamin (25 mcg) + Folic acid (0.4 mg) + Magnesium (100 mg) + Manganese (5 mg) + Molybdenum (25 mcg) + Nicotinamide (40 mg) + Potassium Iodide (0.15 mg) + Pyridoxine hydrochloride (3 mg) + Riboflavin (3.2 mg) + Selenium (25 mcg) + Thiamine mononitrate (2.25 mg) + Vanadium (10 mcg) + Vitamin A palmitate (6000 unit) + Zinc (15 mg)TabletOralGfr Pharma Ltd.2002-10-202004-06-15Canada flag
Adeks TabletsCalcium pantothenate (10 mg) + Ascorbic acid (60 mg) + Beta carotene (3 mg) + Biotin (50 mcg) + Cholecalciferol (400 unit) + Cyanocobalamin (12 mcg) + Folic acid (0.2 mg) + Niacin (10 mg) + Phylloquinone (0.15 mg) + Pyridoxine (1.5 mg) + Riboflavin (1.3 mg) + Thiamine (1.2 mg) + Vitamin A palmitate (4000 unit) + Vitamin E (150 unit) + Zinc (7.5 mg)TabletOralAxcan Pharma1998-01-202011-04-20Canada flag
Adrenergy TabletsPantothenic acid (60 mg) + Ascorbic acid (150 mg) + Manganese (1 mg) + Nicotinamide (80 mg) + Zinc (5 mg)TabletOralMorter HealthsystemNot applicableNot applicableCanada flag
Adrenogist TabPantothenic acid (100 mg) + Potassium chloride (99 mg) + Pyridoxine hydrochloride (5 mg)TabletOralPure Life International Prods Inc.1992-12-312000-07-27Canada flag
Adult Formula 50+Calcium pantothenate (20 mg) + Ascorbic acid (120 mg) + Beta carotene (3000 unit) + Biotin (30 mcg) + Calcium (220 mg) + Cholecalciferol (400 unit) + Chromium (10 mcg) + Copper (2 mg) + Cyanocobalamin (25 mcg) + Folic acid (0.4 mg) + Iodine (0.15 mg) + Magnesium (100 mg) + Manganese (2.5 mg) + Molybdenum (10 mcg) + Nicotinamide (20 mg) + Potassium (37.5 mg) + Pyridoxine hydrochloride (6 mg) + Riboflavin (3.4 mg) + Selenium (10 mcg) + Thiamine hydrochloride (4.5 mg) + Vitamin A palmitate (3000 unit) + Zinc (15 mg) + alpha-Tocopherol acetate (60 unit)TabletOralWn Pharmaceuticals Ltd.2002-04-252009-09-28Canada flag
Advanced 2000 CapsulesPantothenic acid (15 mg) + Choline (15 mg) + Chromium (50 mcg) + Inositol (15 mg) + Manganese (1 mg) + Pyridoxine hydrochloride (4 mg)CapsuleOralBody Gold, A Division Of Pep Products, Inc.2000-01-012002-08-22Canada flag
Advanced B & T FormulaCalcium pantothenate (5 mg) + Ascorbic acid (33.3 mg) + Calcium (200 mg) + Chromium (33.33 mcg) + Copper (0.5 mg) + Cyanocobalamin (6.67 mcg) + Folic acid (0.133 mg) + Iron (1.67 mg) + Magnesium (83.3 mg) + Manganese (3.33 mg) + Nicotinamide (6.67 mg) + Phosphorus (100 mg) + Potassium (16.67 mg) + Pyridoxine hydrochloride (6.67 mg) + Riboflavin (2.67 mg) + Selenium (33.33 mcg) + Silicon (0.333 mg) + Sodium molybdate (16.67 mcg) + Thiamine (2.67 mg) + Vanadium (8.33 mg) + Vitamin D (66.67 unit) + Zinc (5 mg)CapsuleOralNutraceutical CorporationNot applicableNot applicableCanada flag
ALINAMIN EX PLUSCalcium pantothenate (10 MG) + Cyanocobalamin (500 MCG) + Fursultiamine hydrochloride (36.39 MG) + Pyridoxine hydrochloride (33.33 MG) + Vitamin E (33.33 MG)Tablet, sugar coatedOralบริษัท ทาเคดา (ประเทศไทย) จำกัด2014-04-02Not applicableThailand flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
BacminCalcium pantothenate (25 mg/1) + Ascorbic acid (500 mg/1) + Biotin (150 ug/1) + Chromium Cr-51 chloride (0.1 mg/1) + Cupric oxide (3 mg/1) + Cyanocobalamin (50 ug/1) + Ferrous fumarate (27 mg/1) + Flavone (50 mg/1) + Folic acid (1 mg/1) + Magnesium oxide (50 mg/1) + Manganese gluconate (5 mg/1) + Nicotinamide (100 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (20 mg/1) + Selenomethionine (50 ug/1) + Thiamine mononitrate (20 mg/1) + Vitamin A acetate (2000 [iU]/1) + Zinc oxide (22.5 mg/1) + alpha-Tocopherol acetate (30 [iU]/1)Tablet, coatedOralMarnel Pharmaceuticals, Llc2000-04-01Not applicableUS flag
Cavan Heme OBCalcium pantothenate (10 mg/1) + Biotin (30 ug/1) + Cholecalciferol (400 [iU]/1) + Cupric sulfate pentahydrate (0.8 mg/1) + Cyanocobalamin (12 ug/1) + Folic acid (1 mg/1) + Iron (28 mg/1) + Niacin (17 mg/1) + Potassium Iodide (175 ug/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (1.6 mg/1) + Sodium selenate (65 ug/1) + Thiamine mononitrate (1.5 mg/1) + Zinc oxide (15 mg/1) + alpha-Tocopherol succinate (10 [iU]/1)TabletOralSeton Pharmaceuticals2010-08-032012-06-10US flag
CentratexCalcium pantothenate (10 mg/1) + Cupric sulfate (0.8 mg/1) + Cyanocobalamin (15 ug/1) + Folic acid (1 mg/1) + Iron (106 mg/1) + Magnesium sulfate (6.9 mg/1) + Manganese sulfate (1.3 mg/1) + Nicotinamide (30 mg/1) + Pyridoxine hydrochloride (5 mg/1) + Riboflavin (6 mg/1) + Sodium ascorbate (200 mg/1) + Thiamine mononitrate (10 mg/1) + Zinc sulfate, unspecified form (18.2 mg/1)CapsuleOralCenturion Labs, LLC2009-06-14Not applicableUS flag
Concept DHACalcium pantothenate (5 mg/1) + Ascorbic acid (25 mg/1) + Biotin (300 ug/1) + Cupric sulfate pentahydrate (2 mg/1) + Cyanocobalamin (12.5 ug/1) + Ferrous fumarate (53.5 mg/1) + Folic acid (1 mg/1) + Iron (38 mg/1) + Magnesium sulfate (5 mg/1) + Niacin (1.8 mg/1) + Omega-3-acid ethyl esters (200 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (3 mg/1) + Thiamine mononitrate (2 mg/1) + Zinc sulfate, unspecified form (10 mg/1)Capsule, liquid filledOralUs Pharmaceutical Corporation2009-06-24Not applicableUS flag
Concept OBCalcium pantothenate (7 mg/1) + Ascorbic acid (210 mg/1) + Biotin (300 ug/1) + Cupric sulfate pentahydrate (800 ug/1) + Cyanocobalamin (10 ug/1) + Ferrous fumarate (130 mg/1) + Folic acid (1 mg/1) + Iron (92.4 mg/1) + Magnesium sulfate (6.9 mg/1) + Manganese sulfate (1.3 mg/1) + Niacin (20 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (5 mg/1) + Thiamine mononitrate (5 mg/1) + Zinc sulfate, unspecified form (18.2 mg/1)CapsuleOralUs Pharmaceutical Corporation2009-01-01Not applicableUS flag
DialyviteCalcium pantothenate (10 mg/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cobalamin (6 ug/1) + Folic acid (1 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (10 mg/1) + Riboflavin (1.7 mg/1) + Thiamine mononitrate (1.5 mg/1)Tablet, coatedOralHillestad Pharmaceuticals Usa1988-08-01Not applicableUS flag
DialyviteCalcium pantothenate (10 mg/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cobalamin (6 ug/1) + Folic acid (1 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (10 mg/1) + Riboflavin (1.7 mg/1) + Thiamine mononitrate (1.5 mg/1)Tablet, coatedOralCarilion Materials Management1988-08-01Not applicableUS flag
DialyviteCalcium pantothenate (10 mg/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cobalamin (6 ug/1) + Folic acid (1 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (10 mg/1) + Riboflavin (1.7 mg/1) + Thiamine mononitrate (1.5 mg/1)Tablet, coatedOralAtlantic Biologicals Corps.1988-08-01Not applicableUS flag
Dialyvite 3000Calcium pantothenate (10 mg/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cobalamin (1 mg/1) + Folic acid (3 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (1.7 mg/1) + Selenocysteine (70 ug/1) + Thiamine mononitrate (1.5 mg/1) + Zinc citrate (15 mg/1) + alpha-Tocopherol succinate (30 [iU]/1)Tablet, coatedOralHillestad Pharmaceuticals Usa2004-02-01Not applicableUS flag
Dialyvite 5000Calcium pantothenate (10 mg/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cobalamin (2 mg/1) + Folic acid (5 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (1.7 mg/1) + Selenocysteine (70 ug/1) + Thiamine mononitrate (1.5 mg/1) + Zinc citrate (25 mg/1) + alpha-Tocopherol succinate (30 [iU]/1)Tablet, coatedOralHillestad Pharmaceuticals Usa2008-05-01Not applicableUS flag

Categories

ATC Codes
D03AX04 — Calcium pantothenateA11HA31 — Calcium pantothenate
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Alcohols and polyols
Direct Parent
Secondary alcohols
Alternative Parents
Propargyl-type 1,3-dipolar organic compounds / Polyols / Monocarboxylic acids and derivatives / Carboxylic acids / Carboximidic acids / Primary alcohols / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Aliphatic acyclic compound / Carbonyl group / Carboximidic acid / Carboximidic acid derivative / Carboxylic acid / Carboxylic acid derivative / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic 1,3-dipolar compound / Organic nitrogen compound
show 7 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
pantothenic acid (CHEBI:46905) / Water-soluble vitamins (C00864)

Chemical Identifiers

UNII
19F5HK2737
CAS number
79-83-4
InChI Key
GHOKWGTUZJEAQD-ZETCQYMHSA-N
InChI
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
IUPAC Name
3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid
SMILES
CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O

References

Synthesis Reference

John F. Verbeeck, "Process for the production of the calcium salt of pantothenic acid." U.S. Patent US3935256, issued February, 1971.

US3935256
General References
  1. Trumbo, P. R. (2005). Pantothenic Acid. In Modern Nutrition in Health and Disease (10th ed., pp. 462–467). Lippincott Williams & Wilkins. [ISBN:0-7817-4133-5]
Human Metabolome Database
HMDB0000210
KEGG Drug
D07413
KEGG Compound
C00864
PubChem Compound
988
PubChem Substance
46505022
ChemSpider
6361
BindingDB
50240040
RxNav
7891
ChEBI
46905
ChEMBL
CHEMBL1594
ZINC
ZINC000005356910
PDBe Ligand
PAU
Wikipedia
Pantothenic_acid
AHFS Codes
  • 88:08.00 — Vitamin B Complex
PDB Entries
1sq5 / 2f9w / 2zs9 / 2zse / 3af0 / 3af3 / 3avo / 3bex / 3bf1 / 3uy4
show 4 more
MSDS
Download (47.9 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentDiabetic Peripheral Neuropathic Pain (DPN)1
4CompletedTreatmentHyperemesis Gravidarum / Morning Sickness / Nausea / Pregnant State / Vomiting1
4CompletedTreatmentPregnant State1
4TerminatedTreatmentMyocardial Stunning1
4Unknown StatusTreatmentHyperuricemia1
2Active Not RecruitingTreatmentTraumatic Brain Injury (TBI)1
1, 2CompletedPreventionDeficiency, Vitamin D / Prophylaxis of preeclampsia1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CapsuleOral300 mg
Tablet, sugar coatedOral
SyrupOral0.35 mg
ElixirOral
Tablet, sugar coatedOral50 mg
Tablet, coatedOral15 mg
Capsule15 mg
Tablet, delayed releaseOral15 mg
Tablet, film coatedOral25 mg
Tablet, effervescentOral15 mg
GranuleOral50 mcg
TabletOral20 mg
TabletOral25 mg
CapsuleOral200 mg
CapsuleOral15 IU
Tablet, film coatedOral25 mcg
TabletOral4 mcg
Tablet, film coatedOral5 mcg
SolutionOral
TabletOral8.5 mg
TabletOral7.5 mg
TabletOral582.5 IU
TabletOral10 mcg
CapsuleOral2 mcg
CapsuleOral50 mcg
CapsuleOral400 mcg
TabletOral
Capsule, liquid filledOral
CapsuleOral
Tablet, film coated8000 IU
Capsule, coatedOral
Tablet4000 IU
Capsule4000 IU
TabletOral0.071 g/100g
TabletOral1 mg
TabletOral0.1 mg
Tablet, film coatedOral500 IU
Tablet, effervescentOral
Tablet, film coatedOral125 mg
TabletOral4000 IU
CapsuleOral10 mg
Tablet, film coatedOral500 mg
TabletOral50 mg
Powder, for solutionIntravenous200 mg
CapsuleOral35 mg
TabletOral15 mg
CapsuleOral250 mg
Solution / dropsOral
Capsule, gelatin coatedOral40 mg
TabletOral82.5 mg
Tablet, delayed releaseOral
Tablet, extended releaseOral400 mcg
TabletOral18 mcg
CapsuleOral5 mg
CapsuleOral50 mg
Tablet, coatedOral150 mcg
CapsuleOral4 mg
Tablet, film coatedOral800 mcg
Capsule, liquid filledOral750 mcg
Tablet, chewableOral2500 IU
LiquidIntravenous
Tablet, film coatedOral1200 mcg
TabletOral8.3 mg
CapsuleOral750 mcg
CapsuleOral5000 IU
TabletOral500 mg
ElixirOral1 mg/5ml
Tablet, chewableOral
CapsuleOral1828 µg
Capsule, liquid filledOral160 mg
Tablet, orally disintegratingOral
Tablet, chewableOral200 mcg
TabletOral1.2 mg
TabletOral0.057 g/100g
CapsuleOral3000 IU
SolutionOral2 mcg/100ml
TabletOral150 mg
TabletOral5 mg
CapsuleOral220 mg
CapsuleOral
CapsuleOral100 mg
Tablet, extended releaseOral
SolutionOral100 mg
CapsuleOral2000 IU
Tablet, film coatedOral15 mg
CapsuleOral4000 IU
TabletOral0.5 mg
LiquidOral
Capsule
TabletOral5 mcg
CapsuleOral25 mg
CapsuleOral1 mg
CapsuleOral12 mg
Tablet, film coatedOral100 mcg
Injection, solutionIntravenous3.1 mg
Injection, powder, for solutionIntravenous60 µg
Injection, powder, lyophilized, for solutionIntravenous400 mcg
Solution2.5 mg
TabletOral40 mcg
Capsule, extended releaseOral
Tablet, extended releaseOral
Capsule, liquid filledOral1 mg
Powder, for solutionOral
Tablet50 mg
SyrupOral0.25 mg/5ml
Injection, powder, lyophilized, for solutionIntramuscular; Intravenous3500 IU
CapsuleOral3.5 mg
Tablet, chewableOral5000 IU
Capsule, liquid filledOral25 mg
Tablet, film coatedOral
Tablet, film coatedOral9.7 mg
Capsule, gelatin coatedOral
Capsule, gelatin coatedOral0.5 mg
Tablet, coatedOral
TabletOral
KitOral
TabletOral100 mg
Tablet, chewableOral1250 IU
PowderOral
TabletOral200 mg
Tablet, film coatedOral200 mg
GranuleOral70 mcg
Syrup
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)195ºC (D-Calcium Pantothenate salt)MSDS
water solubilitySolubleMSDS
Predicted Properties
PropertyValueSource
Water Solubility60.5 mg/mLALOGPS
logP-1.1ALOGPS
logP-1.4ChemAxon
logS-0.56ALOGPS
pKa (Strongest Acidic)4.35ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area106.86 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity51.51 m3·mol-1ChemAxon
Polarizability21.99 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption-0.6189
Blood Brain Barrier+0.6889
Caco-2 permeable-0.7055
P-glycoprotein substrateSubstrate0.5464
P-glycoprotein inhibitor INon-inhibitor0.836
P-glycoprotein inhibitor IINon-inhibitor0.9184
Renal organic cation transporterNon-inhibitor0.95
CYP450 2C9 substrateNon-substrate0.8235
CYP450 2D6 substrateNon-substrate0.8051
CYP450 3A4 substrateNon-substrate0.5411
CYP450 1A2 substrateNon-inhibitor0.9133
CYP450 2C9 inhibitorNon-inhibitor0.9137
CYP450 2D6 inhibitorNon-inhibitor0.9417
CYP450 2C19 inhibitorNon-inhibitor0.8929
CYP450 3A4 inhibitorNon-inhibitor0.9587
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9305
Ames testNon AMES toxic0.9278
CarcinogenicityNon-carcinogens0.9062
BiodegradationReady biodegradable0.662
Rat acute toxicity1.7394 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9968
hERG inhibition (predictor II)Non-inhibitor0.944
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-MS (3 TMS)GC-MSsplash10-0zfu-1950000000-e17ccf50735fd5171fc4
GC-MS Spectrum - GC-MS (4 TMS)GC-MSsplash10-0f6t-3921000000-6a2222a87b5ffd328cee
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0udi-0920000000-9785638e8fe83ade2497
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0zfr-0920000000-5f3d78d9671cf3e9e436
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0udi-0910000000-1ad24073d09589d69733
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-014i-0090000000-4077cb3290a3d501c967
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-000j-9520000000-21cefac627d830ed5bbf
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-000j-9400000000-d7cac2e845877b5d4c45
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-00di-9000000000-a56de6ea4cc94ead9287
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-00di-9000000000-958b1047fc59d5fa55ab
LC-MS/MS Spectrum - LC-ESI-IT , negativeLC-MS/MSsplash10-000i-9100000000-5cf3012f98b80b72b87c
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-00ks-9330000000-5220625c440a0e4d0e1a
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-00ks-9330000000-da413d79b085b05c74fa
MS/MS Spectrum - , negativeLC-MS/MSsplash10-000j-9410000000-e4934ca5cda48554f8bc
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-00di-0090000000-d74155da6ca6fff432c5
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9560000000-663aa7cea0b521907df1
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-006x-9200000000-475c18425c9352988ee1
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-01bc-9000000000-afcfa162e86332d3cfa2
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-014i-9000000000-421f28522574e5fa8eae
LC-MS/MS Spectrum - LC-ESI-IT , positiveLC-MS/MSsplash10-0f6x-9470000000-cfd10935dbbb59770f3f
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-00di-0090000000-460a4bec2421708c0e18
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-00di-2190000000-6eec23d0d7031fc1e28b
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-00dl-9460000000-a6391c9eace085a7cd68
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-006x-9450000000-f677ff82e7d7f3f58ba1
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0006-9530000000-306c232e4d3a79ff2081
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable

Targets

Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Pantothenate kinase activity
Specific Function
Not Available
Gene Name
coaA
Uniprot ID
P0A6I3
Uniprot Name
Pantothenate kinase
Molecular Weight
36359.435 Da
References
  1. Kuo YM, Hayflick SJ, Gitschier J: Deprivation of pantothenic acid elicits a movement disorder and azoospermia in a mouse model of pantothenate kinase-associated neurodegeneration. J Inherit Metab Dis. 2007 Jun;30(3):310-7. doi: 10.1007/s10545-007-0560-8. Epub 2007 Apr 12. [PubMed:17429753]

Drug created on June 13, 2005 13:24 / Updated on March 07, 2021 14:46