Itraconazole-d3
Product Code
TRC-I937503
CAS Number
Product Format
Neat
Molecular Formula
C35 2H3 H35 Cl2 N8 O4
Molecular Weight
708.65
API Family
ItraconazoleProduct Categories
TRC, Chiral Molecules , Antimycotics, Antimycotics, API Reference Standards & Research Materials, Forensic and Toxicology Reference Materials, Antimycotics, Antifungals, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials
Unlabelled CAS Number
Purity
>95% (HPLC)
Drug Type
Antifungals
Documentation
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Product Information
Chemical Data
Analyte Name
Itraconazole-d3
CAS Number
1217512-35-0
Molecular Formula
C35 2H3 H35 Cl2 N8 O4
Molecular Weight
708.65
Accurate Mass
707.2581
SMILES
[2H]C([2H])([2H])C(CC)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/i2D3
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-(1,1,1-trideuteriobutan-2-yl)-1,2,4-triazol-3-one
Unlabelled CAS Number
84625-61-6
SIL Type
Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API; Stable Isotope Labelled
Product Format
Neat
API Family
Purity
>95% (HPLC)
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