N-Acetylpiperazine-N’-(4-phenol) Ketoconazole
Product Specifications
CAS Number
1346598-39-7
Synonyms
N-Acetylpiperazine-N'-(4-phenol) Ketoconazole
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(=O)N1CCN(CC1)c2ccc(Oc3cc(ccc3OC[C@@H]4CO[C@](Cn5ccnc5)(O4)c6ccc(Cl)cc6Cl)N7CCN(CC7)C(=O)C)cc2
Molecular Formula
C38 H42 Cl2 N6 O6
Molecular Weight
749.683
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
Additionnal Information
IUPAC name: 1-[4-[4-[5-(4-acetylpiperazin-1-yl)-2-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenoxy]phenyl]piperazin-1-yl]ethanone
Shipping Conditions
Room Temperature
Storage Conditions
-20°C
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