acetohexamide   Click here for help

GtoPdb Ligand ID: 6793

Synonyms: Dymelor®
Approved drug
acetohexamide is an approved drug (FDA (1964))
Compound class: Synthetic organic
Comment: A sulfonylurea family drug.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 100.72
Molecular weight 324.11
XLogP 2.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1
Isomeric SMILES O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1
InChI InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
InChI Key VGZSUPCWNCWDAN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1964))
IUPAC Name Click here for help
3-(4-acetylbenzenesulfonyl)-1-cyclohexylurea
International Nonproprietary Names Click here for help
INN number INN
1134 acetohexamide
Synonyms Click here for help
Dymelor®
Database Links Click here for help
CAS Registry No. 968-81-0
ChEMBL Ligand CHEMBL1589
DrugBank Ligand DB00414
DrugCentral Ligand 57
GtoPdb PubChem SID 178103399
PubChem CID 1989
Search Google for chemical match using the InChIKey VGZSUPCWNCWDAN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VGZSUPCWNCWDAN
Search PubMed clinical trials acetohexamide
Search PubMed titles acetohexamide
Search PubMed titles/abstracts acetohexamide
Search UniChem for chemical match using the InChIKey VGZSUPCWNCWDAN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VGZSUPCWNCWDAN
Wikipedia Acetohexamide