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Neuroscience Information Framework (NIF) Standard Ontology
Last uploaded:
February 10, 2018
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| Preferred Name | chlorhexidine | |
| Synonyms |
N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) Chlorhexidine N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)] |
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| 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 label |
N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) Chlorhexidine N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]
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|
| charge |
0
|
|
| database_cross_reference |
VSDB:1779 Beilstein:2826432 Reaxys:2826432 PMID:17602516 PMID:33863402 PMID:16238008 CAS:55-56-1 KEGG:D07668 PMID:33786648 Drug_Central:597 PMID:33850179 Wikipedia:Chlorhexidine LINCS:LSM-5633 DrugBank:DB00878 KEGG:C06902 PMID:11564456 PMID:33805369 PMID:24384684 PMID:10848923
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|
| definition |
A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.
|
|
| formula |
C22H30Cl2N10
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|
| has characteristic | ||
| has exact synonym |
Chlorhexidine N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]
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|
| has functional parent | ||
| has role | ||
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide)
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|
| id |
CHEBI:3614
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|
| 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)
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|
| inchikey |
GHXZTYHSJHQHIJ-UHFFFAOYSA-N
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|
| label |
chlorhexidine
|
|
| mass |
505.44700
|
|
| monoisotopicmass |
504.20320
|
|
| notation |
CHEBI:3614
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|
| note |
A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.
|
|
| preferred label |
chlorhexidine
|
|
| prefixIRI |
CHEBI:3614
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| prefLabel |
chlorhexidine
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|
| smiles |
Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
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| subClassOf |
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