CHEBI:28312 - chlorhexidine gluconate

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ChEBI Name chlorhexidine gluconate
ChEBI ID CHEBI:28312
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3615, CHEBI:23112
Supplier Information
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Formulae C22H30Cl2N10.2C6H12O7
C34H54Cl2N10O14
Net Charge 0
Average Mass 897.75696
Monoisotopic Mass 896.31980
InChI InChI=1S/C22H30Cl2N10.2C6H12O7/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;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1
InChIKey YZIYKJHYYHPJIB-UUPCJSQJSA-N
SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.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.
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ChEBI Ontology
Outgoing chlorhexidine gluconate (CHEBI:28312) has functional parent chlorhexidine (CHEBI:3614)
chlorhexidine gluconate (CHEBI:28312) has role antibacterial agent (CHEBI:33282)
chlorhexidine gluconate (CHEBI:28312) is a D-gluconate adduct (CHEBI:20984)
chlorhexidine gluconate (CHEBI:28312) is a organochlorine compound (CHEBI:36683)
IUPAC Name
N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]—D-gluconic acid (1/2)
Synonyms Sources
1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconate ChemIDplus
chlorhexidine D-digluconate ChemIDplus
chlorhexidine di-D-gluconate ChemIDplus
chlorhexidine digluconate KEGG DRUG
chlorhexidine gluconate KEGG DRUG
Hibiclens KEGG DRUG
Peridex KEGG DRUG
Manual Xref Database
D00858 KEGG DRUG
View more database links
Registry Numbers Types Sources
18472-51-0 CAS Registry Number KEGG DRUG
4348068 Beilstein Registry Number Beilstein
Last Modified
04 August 2014