Chemical Compound

Isavuconazonium sulfate

CAS Registry Number 946075-13-4

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Isavuconazonium sulfate chemical structure

Primary Record

Isavuconazonium sulfate

In stock: 2,896 g
Purity: 98.7 %
CAS: 946075-13-4

Compound Identifiers & Properties

CAS: 946075-13-4
PubChem CID: 131953027
SMILES: C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](C[N+]3=C[N+](=CN3)C(C)OC(=O)N(C)C4=C(C=CC=N4)COC(=O)CNC)(C5=C(C=CC(=C5)F)F)O.OS(=O)(=O)[O-]
Canonical SMILES: CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1c[nH][n+](C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1.O=S(=O)([O-])O

Names & Synonyms

Isavuconazonium sulfate
946075-13-4