Ketoconazole
Product Code
CERK-004
CAS Number
Product Format
Single Solution
Molecular Formula
C26 H28 Cl2 N4 O4
Molecular Weight
531.43
Product Categories
Price and availability
Product Information
Product Data
Analyte Name
Ketoconazole
CAS Number
65277-42-1
Molecular Formula
C26 H28 Cl2 N4 O4
Molecular Weight
531.43
Accurate Mass
530.1488
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-/m0/s1
IUPAC
1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Storage & Transport Information
Country of Origin
UNITED STATES
Tariff Code
38220000
Product Attributes
Product Format
Single Solution
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