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Isavuconazole Basic information

Product Name: Isavuconazole

Synonyms: Isaconazole;4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile;Isavucozole;4-(2-((2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile;Isavuconazonium;Isavuconazole(BAL-4815;Isavuconazole;4-[2-[(1R,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile

CAS: 241479-67-4

MF: C22H17F2N5OS

MW: 437.47

EINECS: 1592732-453-0

Product Categories: Inhibitors;Aromatics;Chiral Reagents;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds;Isavuconazonium sulfate;API

Mol File: 241479-67-4.mol

Isavuconazole Structure

Isavuconazole Chemical Properties

Melting point 89 - 91oC

Boiling point 678.0±65.0 °C(Predicted)

density 1.38

storage temp. 2-8°C

solubility Chloroform (Slightly), Methanol (Slightly)

form Solid

pka 11.42±0.29(Predicted)

color Off-White to Beige

InChI InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1

InChIKey DDFOUSQFMYRUQK-RCDICMHDSA-N

SMILES C(#N)C1=CC=C(C2=CSC([C@H](C)[C@](C3=CC(F)=CC=C3F)(O)CN3C=NC=N3)=N2)C=C1