Hydroxy Itraconazole-d5
Product Code
TRC-H943602
CAS Number
Product Format
Neat
Molecular Formula
C35 D5 H33 Cl2 N8 O5
Molecular Weight
726.66
API Family
ItraconazoleProduct Categories
TRC, Antimycotics, Pharmaceutical Reference Standards, Impurity Reference Materials , Azoles, Antifungals, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials
Unlabelled CAS Number
Documentation
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Product Information
Product Data
Analyte Name
Hydroxy Itraconazole 2,3,4,4,4-butyl-d5
CAS Number
1217524-77-0
Molecular Formula
C35 D5 H33 Cl2 N8 O5
Molecular Weight
726.66
Accurate Mass
725.2656
SMILES
[2H]C([2H])([2H])C([2H])(O)C([2H])(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4
InChI
InChI=1S/C35H38Cl2N8O5/c1-24(25(2)46)45-34(47)44(23-40-45)29-6-4-27(5-7-29)41-13-15-42(16-14-41)28-8-10-30(11-9-28)48-18-31-19-49-35(50-31,20-43-22-38-21-39-43)32-12-3-26(36)17-33(32)37/h3-12,17,21-25,31,46H,13-16,18-20H2,1-2H3/t24?,25?,31-,35-/m1/s1/i2D3,24D,25D
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-(1,2,3,3,3-pentadeuterio-2-hydroxy-1-methyl-propyl)-1,2,4-triazol-3-one
Unlabelled CAS Number
112559-91-8
SIL Type
Deuterium
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Neat
API Family
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