Isavuconazole D4

Modify Date: 2025-08-27 15:31:28

Isavuconazole D4 Structure
Isavuconazole D4 structure
Common Name Isavuconazole D4
CAS Number 1346598-58-0 Molecular Weight 441.490
Density 1.4±0.1 g/cm3 Boiling Point 678.0±65.0 °C at 760 mmHg
Molecular Formula C22H13D4F2N5OS Melting Point N/A
MSDS N/A Flash Point 363.8±34.3 °C

 Use of Isavuconazole D4


Isavuconazole D4 (BAL-4815 D4) is a deuterium labeled Isavuconazole (BAL-4815). Isavuconazole is a triazole prodrug with antifungal activity against yeasts, molds, and dimorphic fungi[1].

 Names

Name 4-{2-[(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-1,3-thiazol-4-yl}(2H4)benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 678.0±65.0 °C at 760 mmHg
Molecular Formula C22H13D4F2N5OS
Molecular Weight 441.490
Flash Point 363.8±34.3 °C
Exact Mass 441.137299
LogP 3.92
Vapour Pressure 0.0±2.2 mmHg at 25°C
Index of Refraction 1.666
InChIKey DDFOUSQFMYRUQK-KUXFOAEVSA-N
SMILES CC(c1nc(-c2ccc(C#N)cc2)cs1)C(O)(Cn1cncn1)c1cc(F)ccc1F

 Synonyms

Benzonitrile-2,3,5,6-d4, 4-[2-[(1R,2R)-2-(2,5-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-
4-{2-[(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-1,3-thiazol-4-yl}(2H4)benzonitrile
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