ethinamate   Click here for help

GtoPdb Ligand ID: 7325

Synonyms: Valmid®
Approved drug
ethinamate is an approved drug
Compound class: Synthetic organic
Comment: Ethinamate is a short-acting sedative-hypnotic type drug.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 53.31
Molecular weight 167.09
XLogP 2.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C#CC1(CCCCC1)OC(=N)O
Isomeric SMILES C#CC1(CCCCC1)OC(=N)O
InChI InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)
InChI Key GXRZIMHKGDIBEW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
[(1-ethynylcyclohexyl)oxy]methanimidic acid
International Nonproprietary Names Click here for help
INN number INN
549 ethinamate
Synonyms Click here for help
Valmid®
Database Links Click here for help
CAS Registry No. 126-52-3
ChEMBL Ligand CHEMBL1576
DrugBank Ligand DB01031
DrugCentral Ligand 1081
GtoPdb PubChem SID 178103897
PubChem CID 3284
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Wikipedia Ethinamate