CHEBI:87184 - hexamidine

ChEBI IDCHEBI:87184
ChEBI Namehexamidine
Stars
DefinitionA polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol.
Last Modified24 July 2024
SubmitterKevin
DownloadsMolfile
FormulaC20H26N4O2
Net Charge0
Average Mass354.454
Monoisotopic Mass354.20558
SMILESN=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1
InChIInChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)
InChIKeyOQLKNTOKMBVBKV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
antiseptic drug  A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body).
ChEBI Ontology
Outgoing Relation(s)
hexamidine (CHEBI:87184) has functional parent hexane-1,6-diol (CHEBI:43078)
hexamidine (CHEBI:87184) has role antimicrobial agent (CHEBI:33281)
hexamidine (CHEBI:87184) has role antiseptic drug (CHEBI:48218)
hexamidine (CHEBI:87184) is a aromatic ether (CHEBI:35618)
hexamidine (CHEBI:87184) is a guanidines (CHEBI:24436)
hexamidine (CHEBI:87184) is a polyether (CHEBI:46774)
IUPAC Name 
4,4'-[hexane-1,6-diylbis(oxy)]di(benzene-1-carboximidamide)
INNs  Source
hexamidinaChemIDplus
hexamidineChemIDplus
hexamidineChemIDplus
hexamidinumChemIDplus
Synonyms  Source
4,4'-(1,6-Hexanediylbis(oxy))bis-benzenecarboximidamideChemIDplus
4,4'-(Hexamethylenedioxy)dibenzamidineChemIDplus
Manual XrefsDatabases
3275DrugCentral
D07206KEGG DRUG
DB03808DrugBank
DIDPDBeChem
EP93186Patent
GB507565Patent
HexamidineWikipedia
Registry NumbersSources
Reaxys:2599985Reaxys
CAS:3811-75-4KEGG DRUG
Citations