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Chemical structure of Isavuconazole-d4

GC47460

Isavuconazole-d4

Also known as 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

An internal standard for the quantification of isavuconazole

ChemicalCAS1346598-58-0MW441.5FormulaC22H13D4F2N5OS
CAS number
1346598-58-0
Molecular weight
441.5
Formula
C22H13D4F2N5OS
Solubility
Acetonitrile： soluble
InChIKey
DDFOUSQFMYRUQK-KUXFOAEVSA-N
Catalogue number
GC47460
Brand
GLPBIO
Computed properties PubChem CID 71749534 · XLogP 3.5 · TPSA 116 Ų · H-bond donors 1
XLogP
3.5
TPSA
116 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
31

SMILES [2H]C1=C(C(=C(C(=C1C#N)[2H])[2H])C2=CSC(=N2)[C@H](C)[C@](CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O)[2H]

Computed descriptors from PubChem (CID 71749534), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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