Pantogab
Basic information
- CAS
1977-33-9- Standard SMILES
CC(C)(CO)C(O)C(=O)NCCCC(=O)O- InChIKey
SBBDHANTMHIRGW-UHFFFAOYSA-N- Molecular formula
- C10H19NO5
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.12632271
Overview
RN given refers to cpd without isomeric designation; synonym hopantenic acid refers to (R)-isomer; synonym pantogam refers to Ca salt (2:1), ((R)-isomer
Names & identifiers
- Preferred name
- Pantogab
- IUPAC
- 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid
- English name
- Butanoic acid
- Molecular formula
- C10H19NO5
- Molecular weight
- 233.26
Names & synonyms
1977-33-9PantogabGABA pantoateGABA-pantoylPantoyl-GABAHomopantothenic acidRefChem:1699074-(2,4-Dihydroxy-3,3-dimethylbutanamido)butanoic acid4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]-butanoic acidDL-Homopantothenic acidMLS006011478
Show more names
Butanoic acid, 4-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)- (7CI, 8CI)
4-((2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)amino)butanoic acidCHEMBL2104815SCHEMBL10703306DTXSID30860199AKOS005446411SB47956SMR004703266ST111975
Database identifiers
- CAS
1977-33-9- PubChem CID
- 2527
- DTXSID
DTXSID30860199- ChEMBL
CHEMBL2104815
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms.
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Compound notes
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