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Iso Fluconazole , CAS No.89429-59-4
Basic Description
Synonyms | 89429-59-4 | Iso Fluconazole | 2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(4H-1,2,4-triazol-4-yl)propan-2-ol | Fluconazole Impurity A | 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol | 9T59BRP61E | (2RS)-2-(2,4-Difluorophenyl) |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
IUPAC Name | 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol |
INCHI | InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-17-18-9-20)5-21-7-16-6-19-21/h1-3,6-9,22H,4-5H2 |
InChi Key | SAXXZPKHUDPGQQ-UHFFFAOYSA-N |
Canonical SMILES | C1=CC(=C(C=C1F)F)C(CN2C=NN=C2)(CN3C=NC=N3)O |
Isomeric SMILES | C1=CC(=C(C=C1F)F)C(CN2C=NN=C2)(CN3C=NC=N3)O |
PubChem CID | 15788287 |
Molecular Weight | 306.27 |
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