Itraconazole-d5 (major)
Product Code
TRC-I937502
CAS Number
Product Format
Neat
Molecular Formula
C35 2H5 H33 Cl2 N8 O4
Molecular Weight
710.66
API Family
ItraconazoleProduct Categories
TRC, Pharmaceutical Reference Standards, Chiral Molecules , Antimycotics, API Reference Standards & Research Materials, Stable isotopes, Drug derivatives & metabolites, Azoles, Antifungals
Unlabelled CAS Number
Price and availability
Documentation
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Product Information
Product Data
Analyte Name
Itraconazole 2-butyl-3,3,4,4,4-d5
CAS Number
1217510-38-7
Molecular Formula
C35 2H5 H33 Cl2 N8 O4
Molecular Weight
710.66
Accurate Mass
709.2707
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-/m0/s1/i1D3,3D2
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-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one
Unlabelled CAS Number
84625-61-6
SIL Type
Deuterium
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Type
API; Stable Isotope Labelled
Product Format
Neat
API Family
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