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Biological and Environmental Research Ontology
| Preferred Name | voriconazole | |
| Synonyms |
voriconazolum (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol voriconazol voriconazole (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol VCZ Vfend (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 |
|
| alternative term |
voriconazolum (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol voriconazol voriconazole (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol VCZ Vfend (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
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|
| bearer of | ||
| charge |
0
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| database_cross_reference |
Patent:EP440372 LINCS:LSM-5244 Drug_Central:2846 PMID:22718362 DrugBank:DB00582 KEGG:D00578 PMID:24102553 CAS:137234-62-9 Wikipedia:Voriconazole PMID:23392902 PMID:23527908 PMID:23766489 Beilstein:7694998 Patent:US5278175 PMID:12940129 KEGG:C07622
|
|
| 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_alternative_id |
CHEBI:127308
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|
| 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 |
voriconazolum (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol voriconazol voriconazole (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol VCZ Vfend
|
|
| 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
|
|
| RO_0000087 | ||
| smiles |
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
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|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38582 http://purl.obolibrary.org/obo/CHEBI_87101 http://purl.obolibrary.org/obo/CHEBI_26878 |
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