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COA COO

Ketoconazole EP Impurity B

Impurity

CAS Number

1346598-39-7

Molecular Formula

C38H42Cl2N6O6

Product format

Neat

Molecular Weight

749.68

Storage

-20ºC

Shipping

Room Temperature

API Family

Ketoconazole

Synonyms

N-Acetylpiperazine-N’-(4-phenol) Ketoconazole;1-Acetyl-4-(4-(((2RS, 4SR)-2-(2, 4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1 and 3-dioxolan-4-yl)methoxy)-3-(4-(4-acetylpiperazin-1-yl)phenoxy)phenyl)piperazine

Smiles

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3=C(C=CC(=C3)N4CCN(CC4)C(=O)C)OC[C@@H]5CO[C@@](O5)(CN6C=CN=C6)C7=C(C=C(C=C7)Cl)Cl

Iupac Name

1-[4-[4-[5-(4-acetylpiperazin-1-yl)-2-[[(2S, 4R)-2-(2, 4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1 and 3-dioxolan-4-yl]methoxy]phenoxy]phenyl]piperazin-1-yl]ethanone

InChI

InChI=1S/C38H42Cl2N6O6/c1-27(47)43-13-17-45(18-14-43)30-4-7-32(8-5-30)51-37-22-31(46-19-15-44(16-20-46)28(2)48)6-10-36(37)49-23-33-24-50-38(52-33,25-42-12-11-41-26-42)34-9-3-29(39)21-35(34)40/h3-12,21-22,26,33H,13-20,23-25H2,1-2H3/t33-,38-/m1/s1

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COA COO

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Synthesis

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