CHEBI:31393 - Chlorhexidine hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Chlorhexidine hydrochloride
ChEBI ID CHEBI:31393
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C22H30Cl2N10.2HCl
C22H32Cl4N10
Net Charge 0
Average Mass 578.369
Monoisotopic Mass 576.15655
InChI InChI=1S/C22H30Cl2N10.2ClH/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);2*1H
InChIKey WJLVQTJZDCGNJN-UHFFFAOYSA-N
SMILES C1(NC(NC(NCCCCCCNC(NC(NC2=CC=C(Cl)C=C2)=N)=N)=N)=N)=CC=C(Cl)C=C1.Cl.Cl
ChEBI Ontology
Outgoing Chlorhexidine hydrochloride (CHEBI:31393) is a guanidines (CHEBI:24436)
Synonym Source
Chlorhexidine hydrochloride KEGG COMPOUND
Manual Xref Database
D01345 KEGG DRUG
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Registry Number Type Source
3697-42-5 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017