Deacetyl Ketoconazole-d8
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- structure.search.product.name Deacetyl Ketoconazole-d8
- Product Code: TRC-D198957
- CAS Number: 1346602-18-3
- Brand: TRC
Product Overview
Product Code
TRC-D198957
CAS Number
Product Format
Neat
Molecular Formula
C24 D8 H18 Cl2 N4 O3
Molecular Weight
497.443
Product Categories
TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Deacetyl Ketoconazole-d8
CAS Number
1346602-18-3
Molecular Formula
C24 D8 H18 Cl2 N4 O3
Molecular Weight
497.443
Accurate Mass
496.188
SMILES
[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2)C1([2H])[2H]
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/i8D2,9D2,11D2,12D2
IUPAC
2,2,3,3,5,5,6,6-octadeuterio-1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
Unlabelled CAS Number
1100930-35-5
SIL Type
Deuterium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Stable Isotope Labelled
Product Format
Neat
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