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chlorhexidine gluconate

Go to external page http://purl.obolibrary.org/obo/CHEBI_28312

Term info

Label

chlorhexidine gluconate

Synonyms
  • N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]--D-gluconic acid (1/2)
  • chlorhexidine gluconate
database cross reference
Subsets

3_STAR

IUPAC NAME
N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]--D-gluconic acid (1/2) [ IUPAC ]

charge

0

formula

C22H30Cl2N10.2C6H12O7, C34H54Cl2N10O14

has alternative id

CHEBI:23112, CHEBI:3615

has obo namespace

chebi_ontology

has related synonym

1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconate, chlorhexidine digluconate, Hibiclens, Peridex, chlorhexidine D-digluconate, chlorhexidine di-D-gluconate

id

CHEBI:28312

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

mass

897.75696

monoisotopicmass

896.31980

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