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Chemical Entities of Biological Interest Ontology
| Preferred Name | butoconazole | |
| Synonyms |
butoconazole butoconazolum butoconazol 1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulfanyl)-butyl]-1H-imidazole 1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole Butoconazole |
|
| Definitions |
A member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to the nitrogen is substituted by a 4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl group. An antifungal agent, it is used as its nitrate salt in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3240 |
|
| charge |
0
|
|
| database_cross_reference |
LINCS:LSM-1344 KEGG:C08065 Wikipedia:Butoconazole DrugBank:DB00639 KEGG:D07598 Drug_Central:450 Patent:US4078071 CAS:64872-76-0 Reaxys:627151
|
|
| definition |
A member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to the nitrogen is substituted by a 4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl group. An antifungal agent, it is used as its nitrate salt in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans.
|
|
| formula |
C19H17Cl3N2S
|
|
| has_alternative_id |
CHEBI:355508
|
|
| has_exact_synonym |
1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole Butoconazole
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
butoconazole butoconazolum butoconazol 1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulfanyl)-butyl]-1H-imidazole
|
|
| id |
CHEBI:3240
|
|
| in_subset | ||
| inchi |
InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2
|
|
| inchikey |
SWLMUYACZKCSHZ-UHFFFAOYSA-N
|
|
| is conjugate base of | ||
| label |
butoconazole
|
|
| mass |
411.77600
|
|
| monoisotopicmass |
410.01780
|
|
| notation |
CHEBI:3240
|
|
| prefLabel |
butoconazole
|
|
| smiles |
Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_24780 http://purl.obolibrary.org/obo/CHEBI_83403 http://purl.obolibrary.org/obo/CHEBI_87069 http://purl.obolibrary.org/obo/CHEBI_35683 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_24780 http://purl.obolibrary.org/obo/CHEBI_83403 http://purl.obolibrary.org/obo/CHEBI_87069 http://purl.obolibrary.org/obo/CHEBI_35683 |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |