Des-(2-butyl) N-Allyl Itraconazole-D5
Product Code
TRC-D297564-100MG
Product Format
Neat
Molecular Formula
C34 D5 H29 Cl2 N8 O4
Molecular Weight
694.622
Product Categories
TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials
Product Type
Stable Isotope LabelledProduct Information
Chemical Data
Analyte Name
Des-(2-butyl) N-Allyl Itraconazole-D5
Molecular Formula
C34 D5 H29 Cl2 N8 O4
Molecular Weight
694.622
Accurate Mass
693.239
SMILES
[2H]C(=C([2H])C([2H])([2H])N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4)[2H]
InChI
InChI=1S/C34H34Cl2N8O4/c1-2-13-44-33(45)43(24-39-44)28-6-4-26(5-7-28)40-14-16-41(17-15-40)27-8-10-29(11-9-27)46-19-30-20-47-34(48-30,21-42-23-37-22-38-42)31-12-3-25(35)18-32(31)36/h2-12,18,22-24,30H,1,13-17,19-21H2/t30-,34-/m0/s1/i1D2,2D,13D2
IUPAC
4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(1,1,2,3,3-pentadeuterioprop-2-enyl)-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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