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.
Applications:
nasal decongestant  A drug used to relieve nasal congestion in the upper respiratory tract.
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).
ophthalmology drug  Any compound used for the treatment of eye conditions or eye diseases.
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) has role nasal decongestant (CHEBI:77715)
hexamidine (CHEBI:87184) has role ophthalmology drug (CHEBI:66981)
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