Deacetyl Ketoconazole
Product Code
TRC-D198955
CAS Number
EP Description
Ketoconazole Impurity D
Product Format
Neat
Molecular Formula
C24 H26 Cl2 N4 O3
Molecular Weight
489.39
API Family
KetoconazoleProduct Categories
TRC, Impurity Reference Materials , Pharmaceutical Toxicology Reference Materials
Product Type
ImpurityAlternate CAS Number
Documentation
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Product Information
Product Data
Analyte Name
Deacetyl Ketoconazole
CAS Number
67914-61-8
Molecular Formula
C24 H26 Cl2 N4 O3
Molecular Weight
489.39
Accurate Mass
488.1382
SMILES
Clc1ccc(c(Cl)c1)[C@@]2(Cn3ccnc3)OC[C@H](COc4ccc(cc4)N5CCNCC5)O2
InChI
InChI=1S/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2/t21-,24-/m0/s1
IUPAC
1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
Alternate CAS Number
Relative stereochemistry: 1100930-35-5
Storage & Transport Information
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Type
Impurity
Product Format
Neat
API Family
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