loading...| Preferred Name |
chlorhexidine gluconate |
| Synonyms |
Peridex chlorhexidine digluconate chlorhexidine gluconate chlorhexidine D-digluconate N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]--D-gluconic acid (1/2) Hibiclens chlorhexidine di-D-gluconate 1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconate |
| ID |
http://purl.obolibrary.org/obo/CHEBI_28312 |
| charge |
0 |
| database_cross_reference |
KEGG:D00858 CAS:18472-51-0 Beilstein:4348068 |
| formula |
C34H54Cl2N10O14 C22H30Cl2N10.2C6H12O7 |
| has functional parent | |
| has role | |
| has_alternative_id |
CHEBI:3615 CHEBI:23112 |
| has_exact_synonym |
chlorhexidine gluconate N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]--D-gluconic acid (1/2) |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
Peridex chlorhexidine digluconate chlorhexidine D-digluconate Hibiclens chlorhexidine di-D-gluconate 1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconate |
| id |
CHEBI:28312 |
| in_subset | |
| 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 |
| label |
chlorhexidine gluconate |
| mass |
897.75696 |
| monoisotopicmass |
896.31980 |
| notation |
CHEBI:28312 |
| prefLabel |
chlorhexidine gluconate |
| 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 |
| treeView | |
| subClassOf |