Itraconazole-d3
Product Code
TRC-I937503-5MG
CAS Number
Product Format
Neat
Molecular Formula
C35 2H3 H35 Cl2 N8 O4
Molecular Weight
708.65
Product Categories
TRC, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Purity
>95% (HPLC)
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 Format
Neat
Purity
>95% (HPLC)