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Chemical Entities of Biological Interest Ontology
| Preferred Name | voriconazole | |
| Synonyms |
(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol voriconazolum Vfend voriconazol VCZ voriconazole (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol |
|
| Definitions |
A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_10023 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:23392902 Wikipedia:Voriconazole PMID:24102553 PMID:23766489 Drug_Central:2846 Patent:EP440372 CAS:137234-62-9 Beilstein:7694998 Patent:US5278175 DrugBank:DB00582 PMID:23527908 PMID:22718362 KEGG:C07622 LINCS:LSM-5244 PMID:12940129 KEGG:D00578
|
|
| definition |
A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.
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|
| formula |
C16H14F3N5O
|
|
| has role | ||
| has_alternative_id |
CHEBI:127308
|
|
| has_exact_synonym |
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol voriconazole
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol voriconazolum Vfend voriconazol VCZ voriconazole
|
|
| id |
CHEBI:10023
|
|
| in_subset | ||
| inchi |
InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
|
|
| inchikey |
BCEHBSKCWLPMDN-MGPLVRAMSA-N
|
|
| label |
voriconazole
|
|
| mass |
349.31050
|
|
| monoisotopicmass |
349.11504
|
|
| notation |
CHEBI:10023
|
|
| prefLabel |
voriconazole
|
|
| smiles |
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_38582 http://purl.obolibrary.org/obo/CHEBI_87101 http://purl.obolibrary.org/obo/CHEBI_26878 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38582 http://purl.obolibrary.org/obo/CHEBI_87101 http://purl.obolibrary.org/obo/CHEBI_26878 |
| Delete | Subject | Author | Type | Created |
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