(2R,4R)-trans-Ketoconazole
Product Code
TRC-K186015-100MG
CAS Number
Product Format
Neat
Molecular Formula
C26 H28 Cl2 N4 O4
Molecular Weight
531.431
Product Categories
Product Information
Chemical Data
Analyte Name
(2R,4R)-trans-Ketoconazole
CAS Number
142128-58-3
Molecular Formula
C26 H28 Cl2 N4 O4
Molecular Weight
531.431
Accurate Mass
530.149
SMILES
CC(=O)N1CCN(CC1)c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2
InChI
InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m1/s1
IUPAC
1-[4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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