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chlorhexidine

Go to external page http://purl.obolibrary.org/obo/CHEBI_3614

A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.

Term info

Label

chlorhexidine

Synonyms
  • Chlorhexidine
  • N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]
database cross reference
Subsets

3_STAR

IUPAC NAME
N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)] [ IUPAC ]

charge

0

formula

C22H30Cl2N10

has obo namespace

chebi_ontology

has related synonym

N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide, 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide)

id

CHEBI:3614

inchi

InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)

inchikey

GHXZTYHSJHQHIJ-UHFFFAOYSA-N

mass

505.44700

monoisotopicmass

504.20320

smiles

Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1