Isavuconazole sulfate | CAS No. 2409453-12-7

Isavuconazole sulfate

Basic Information

CAS Number

2409453-12-7

Molecular Formula

C40H44F2N8O11S2

Molecular Weight

914.95 g/mol

AD

Basic Physical Properties

C1C(COC(=O)CN(C(OC(C)(C)C)=O)C)=C(N=CC=1)N(C(=O)OC(C)[N+]1=CN(C[C@]([C@H](C2=NC(=CS2)C2C=CC(=CC=2)C#N)C)(O)C2C=C(F)C=CC=2F)N=C1)C.S([O-])(O)(=O)=O

InChI

1S/C40H43F2N8O7S.H2O4S/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;1-5(2,3)4/h8-17,21,23-26,54H,19-20,22H2,1-7H3;(H2,1,2,3,4)/q+1;/p-1/t25-,26?,40+;/m0./s1

InChIKey

PIBADNXMEPBXIQ-CYDMSEOTSA-M

Synonyms & References

English

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