Phosphopantothenic acid

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Phosphopantothenic acid
DrugBank Accession Number
DB16966
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 299.216
Monoisotopic: 299.077003542
Chemical Formula
C9H18NO8P
Synonyms
  • .beta.-alanine, n-((2r)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)-
  • 4'-phospho-d-pantothenic acid
  • 4'-phosphopantothenic acid
  • D-pantothenic acid 4'-phosphate
  • Pantothenate phosphate
  • Pantothenic acid, 4'-(dihydrogen phosphate)

Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

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
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Toxicity

Not Available

Pathways
Not Available
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
1SCE5NG3E8
CAS number
5875-50-3
InChI Key
XHFVGHPGDLDEQO-ZETCQYMHSA-N
InChI
InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/t7-/m0/s1
IUPAC Name
3-[(2R)-2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido]propanoic acid
SMILES
CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(O)=O

References

General References
Not Available
Human Metabolome Database
HMDB0001016
KEGG Compound
C03492
ChemSpider
37997
ChEBI
15905
ZINC
ZINC000001529671
PDBe Ligand
PAZ
PDB Entries
2zsa / 3aez / 3bf3 / 5kpz / 6ai9

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility5.09 mg/mLALOGPS
logP-1.5ALOGPS
logP-1.5Chemaxon
logS-1.8ALOGPS
pKa (Strongest Acidic)1.79Chemaxon
pKa (Strongest Basic)-3.8Chemaxon
Physiological Charge-3Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area153.39 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity62.38 m3·mol-1Chemaxon
Polarizability26.55 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 15, 2022 02:01 / Updated at December 01, 2022 11:33