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Des[2-(1,2,4-triazolyl)] Itraconazole-2-isocyanate

Product Code

TRC-D297800-25MG

CAS Number

1246812-37-2

Product Format

Neat

Matrix

-

Molecular Formula

C34 H36 Cl2 N6 O5

Molecular Weight

679.59

Pack Size:

25 mg

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Product Information

CAS Number

1246812-37-2

Molecular Formula

C34 H36 Cl2 N6 O5

Molecular Weight

679.59

Accurate Mass

678.2124

Smiles

CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](CN=C=O)(O5)c6ccc(Cl)cc6Cl)cc4

InChI

InChI=1S/C34H36Cl2N6O5/c1-3-24(2)42-33(44)41(22-38-42)28-7-5-26(6-8-28)39-14-16-40(17-15-39)27-9-11-29(12-10-27)45-19-30-20-46-34(47-30,21-37-23-43)31-13-4-25(35)18-32(31)36/h4-13,18,22,24,30H,3,14-17,19-21H2,1-2H3/t24?,30-,34-/m0/s1

IUPAC

4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(isocyanatomethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Matrix

-

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