(2S,4R)-Itraconazole-d5 (Mixture of Diastereomers)
Product Code
TRC-I937537-25MG
Product Format
Neat
Molecular Formula
C35 D5 H33 Cl2 N8 O4
Molecular Weight
710.664
Product Categories
TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials
Product Type
Stable Isotope LabelledProduct Information
Chemical Data
Analyte Name
(2S,4R)-Itraconazole-d5 (Mixture of Diastereomers)
Molecular Formula
C35 D5 H33 Cl2 N8 O4
Molecular Weight
710.664
Accurate Mass
709.271
SMILES
[2H]C([2H])([2H])C([2H])([2H])C(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4
InChI
InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m1/s1/i1D3,3D2
IUPAC
4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one
SIL Type
Deuterium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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