CHEBI:3614 - chlorhexidine

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ChEBI Name chlorhexidine ChEBI ID CHEBI:3614 Definition A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB4732251, ChemicalBook:CB2771984, eMolecules:491622, ZINC000014768621 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C22H30Cl2N10 Net Charge 0 Average Mass 505.44700 Monoisotopic Mass 504.20320 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 SMILES Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 Roles Classification Biological Role(s): antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. Application(s): antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. hypoglycemic agent A drug which lowers the blood glucose level. (via biguanides ) View more via ChEBI Ontology ChEBI Ontology Outgoing chlorhexidine (CHEBI:3614) has functional parent biguanide (CHEBI:3095) chlorhexidine (CHEBI:3614) has role antibacterial agent (CHEBI:33282) chlorhexidine (CHEBI:3614) has role antiinfective agent (CHEBI:35441) chlorhexidine (CHEBI:3614) is a biguanides (CHEBI:53662) chlorhexidine (CHEBI:3614) is a monochlorobenzenes (CHEBI:83403) Incoming chlorhexidine gluconate (CHEBI:28312) has functional parent chlorhexidine (CHEBI:3614) chlorhexidine acetate (CHEBI:81711) has part chlorhexidine (CHEBI:3614) IUPAC Name N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)] Synonyms Sources 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) ChemIDplus Chlorhexidine KEGG COMPOUND N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide ChemIDplus Manual Xrefs Databases 1779 VSDB 597 DrugCentral C06902 KEGG COMPOUND Chlorhexidine Wikipedia D07668 KEGG DRUG DB00878 DrugBank LSM-5633 LINCS View more database links Registry Numbers Types Sources 2826432 Reaxys Registry Number Reaxys 55-56-1 CAS Registry Number ChemIDplus Citations Last Modified 22 April 2021