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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | butoconazole | |
| Synonyms |
butoconazole 1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulfanyl)-butyl]-1H-imidazole butoconazol butoconazolum 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. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_3240 |
|
| alternative term |
butoconazole 1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulfanyl)-butyl]-1H-imidazole butoconazol butoconazolum 1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole Butoconazole
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|
| charge |
0
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|
| database_cross_reference |
LINCS:LSM-1344 DrugBank:DB00639 Drug_Central:450 Patent:US4078071 Beilstein:627151 CAS:64872-76-0 KEGG:C08065 Reaxys:627151 KEGG:D07598 Wikipedia:Butoconazole
|
|
| 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.
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|
| formula |
C19H17Cl3N2S
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| has_alternative_id |
CHEBI:355508
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|
| has_exact_synonym |
1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole Butoconazole
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|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
butoconazole 1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulfanyl)-butyl]-1H-imidazole butoconazol butoconazolum
|
|
| 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
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|
| inchikey |
SWLMUYACZKCSHZ-UHFFFAOYSA-N
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|
| is_conjugate_base_of | ||
| label |
butoconazole
|
|
| mass |
411.77600
|
|
| monoisotopicmass |
410.01780
|
|
| notation |
CHEBI:3240
|
|
| prefLabel |
butoconazole
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|
| smiles |
Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
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|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_83403 http://purl.obolibrary.org/obo/CHEBI_87069 http://purl.obolibrary.org/obo/CHEBI_35683 |
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