Analyte Name

Isavuconazonium N-Boc Impurity

CAS Number

338990-63-9

Molecular Formula

C40H43F2N8O7S . Cl

Molecular Weight

853.34

SMILES

[C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(COC(CN(C(OC(C)(C)C)=O)C)=O)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5.[Cl-]

InChI

InChI=1S/C40H43F2N8O7S.ClH/c1-25(36-46-33(21-58-36)28-12-10-27(18-43)11-13-28)40(54,31-17-30(41)14-15-32(31)42)22-50-24-49(23-45-50)26(2)56-38(53)48(7)35-29(9-8-16-44-35)20-55-34(51)19-47(6)37(52)57-39(3,4)5;/h8-17,21,23-26,54H,19-20,22H2,1-7H3;1H/q+1;/p-1/t25-,26?,40+;/m0./s1

Country of Origin

CANADA

Product Format

Neat