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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | chlorhexidine gluconate | |
| Synonyms |
Peridex chlorhexidine di-D-gluconate chlorhexidine D-digluconate chlorhexidine digluconate 1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconate Hibiclens N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]--D-gluconic acid (1/2) chlorhexidine gluconate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28312 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D00858 CAS:18472-51-0 Beilstein:4348068
|
|
| formula |
C22H30Cl2N10.2C6H12O7 C34H54Cl2N10O14
|
|
| has functional parent | ||
| has role | ||
| has_alternative_id |
CHEBI:3615 CHEBI:23112
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|
| has_exact_synonym |
N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]--D-gluconic acid (1/2) chlorhexidine gluconate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Peridex chlorhexidine di-D-gluconate chlorhexidine D-digluconate chlorhexidine digluconate 1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconate Hibiclens
|
|
| 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
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| treeView | ||
| subClassOf |
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