acipimox   Click here for help

GtoPdb Ligand ID: 1596

Synonyms: Olbetam®
Approved drug
acipimox is an approved drug (UK (2003))
Compound class: Synthetic organic
Comment: Acipimox is a nicotinic acid derivative.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 77.13
Molecular weight 154.04
XLogP -2.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES [O-][n+]1cc(ncc1C)C(=O)O
Isomeric SMILES [O-][n+]1cc(ncc1C)C(=O)O
InChI InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)
InChI Key DJQOOSBJCLSSEY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (UK (2003))
IUPAC Name Click here for help
5-methyl-4-oxidopyrazin-4-ium-2-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
3809 acipimox
Synonyms Click here for help
Olbetam®
Database Links Click here for help
CAS Registry No. 51037-30-0 (source: Scifinder)
ChEMBL Ligand CHEMBL345714
DrugCentral Ligand 76
GtoPdb PubChem SID 135649890
PubChem CID 5310993
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Wikipedia Acipimox

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Tocris
Acipimox
Cat. No. 2784