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Isavuconazole-[d4]

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General Information
Catalog: BLP-012398
CAS: 1346598-58-0
Molecular Formula: C22H13D4F2N5OS
Molecular Weight: 441.49

Chemical Structure

Description	Isavuconazole-[d4] is the labelled analogue of Isavuconazole. Isavuconazole is a novel triazole antifungal agent.
Synonyms	Isavuconazole D4
IUPAC Name	2,3,5,6-tetradeuterio-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
Related CAS	241479-67-4 (unlabelled)
Canonical SMILES	CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O
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/i2D,3D,4D,5D
InChI Key	DDFOUSQFMYRUQK-KUXFOAEVSA-N
Boiling Point	678.0±65.0 °C at 760 mmHg
Melting Point	77-80°C
Purity	95% by HPLC; 95% atom D
Density	1.4±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C