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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Preferred Name | chlorhexidine | |
| Synonyms |
1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)] Chlorhexidine |
|
| Definitions |
A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3614 |
|
| alternative term |
1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)] Chlorhexidine
|
|
| bearer_of | ||
| charge |
0
|
|
| database_cross_reference |
PMID:16238008 LINCS:LSM-5633 KEGG:C06902 PMID:17602516 Wikipedia:Chlorhexidine Reaxys:2826432 PMID:10848923 PMID:33786648 CAS:55-56-1 PMID:33805369 PMID:33863402 PMID:11564456 KEGG:D07668 PMID:24384684 Drug_Central:597 DrugBank:DB00878 PMID:33850179 Beilstein:2826432 VSDB:1779
|
|
| formula |
C22H30Cl2N10
|
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)] Chlorhexidine
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide
|
|
| has_RxCUI |
2358
|
|
| id |
CHEBI:3614
|
|
| in_subset | ||
| 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
|
|
| label |
chlorhexidine Chlorhexidine
|
|
| mass |
505.44700
|
|
| monoisotopicmass |
504.20320
|
|
| notation |
CHEBI:3614
|
|
| prefixIRI |
CHEBI:3614
|
|
| prefLabel |
chlorhexidine
|
|
| smiles |
Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
|
|
| textual definition |
A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.
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|
| subClassOf |
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