Hopantenic acid

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

Identification

Generic Name
Hopantenic acid
DrugBank Accession Number
DB14044
Background

Hopantenic acid (Pantogam) is a central nervous system depressant. Hopantenic acid has a unique spectrum of pharmacological effects (nootropic, anticonvulsant, mild activating) in the absence of addiction, hyperstimulation or withdrawal syndrome. 1

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 233.264
Monoisotopic: 233.126322716
Chemical Formula
C10H19NO5
Synonyms
  • Acide hopantenique
  • Acido hopantenico
  • Acidum hopantenicum
  • D-Homopantothenic acid
  • Hopantenic acid
  • Hopanteninsaeure
  • N-pantoyl-GABA
  • Pantocalcin

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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Calcium hopantenateRQA63PEI5Q76567-35-6NNHRASUFFPCRBJ-MIOUZRKOSA-J

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
H473MVB16U
CAS number
18679-90-8
InChI Key
SBBDHANTMHIRGW-QMMMGPOBSA-N
InChI
InChI=1S/C10H19NO5/c1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14/h8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14)/t8-/m0/s1
IUPAC Name
4-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]butanoic acid
SMILES
CC(C)(CO)[C@@H](O)C(=O)NCCCC(O)=O

References

General References
  1. Voronina TA, Litvinova SA: [Pharmacological effects and clinical application of pantogam and pantogam active]. Zh Nevrol Psikhiatr Im S S Korsakova. 2017;117(8):132-139. doi: 10.17116/jnevro201711781132-139. [Article]
KEGG Drug
D08042
ChemSpider
26309
ChEBI
134949
ChEMBL
CHEMBL2110783
ZINC
ZINC000002017228
Wikipedia
Hopantenic_acid

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility40.1 mg/mLALOGPS
logP-0.92ALOGPS
logP-1.1Chemaxon
logS-0.77ALOGPS
pKa (Strongest Acidic)4.37Chemaxon
pKa (Strongest Basic)-2.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area106.86 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity56.27 m3·mol-1Chemaxon
Polarizability23.92 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 MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f89-3790000000-ae627864781af32d325f
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00lr-4490000000-7da6d4ab16968f6cfb26
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0019-9300000000-e473a2c5e8a46b319180
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9200000000-e5499bd28031adadfbcb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9100000000-96ca3a410ee4c349fb40
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000f-9100000000-38241c11836837645aee
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-158.4973903
predicted
DarkChem Lite v0.1.0
[M+H]+159.6828903
predicted
DarkChem Lite v0.1.0
[M+Na]+159.0775903
predicted
DarkChem Lite v0.1.0

Drug created at May 23, 2018 01:01 / Updated at February 21, 2021 18:54