Product Code
TRC-B692500-50MG
CAS Number
EP Description
Itraconazole EP Impurity F
Product Format
Neat
Molecular Formula
C35 H38 Cl2 N8 O4
Molecular Weight
705.63
Product Categories
TRC, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials
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Analyte Name
2-Butyl-4-[4-[4-[4-[(cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy]phenyl]piperazin-1-yl]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CAS Number
89848-51-1
Molecular Formula
C35 H38 Cl2 N8 O4
Molecular Weight
705.63
Accurate Mass
704.2393
SMILES
CCCCN1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4
InChI
InChI=1S/C35H38Cl2N8O4/c1-2-3-14-45-34(46)44(25-40-45)29-7-5-27(6-8-29)41-15-17-42(18-16-41)28-9-11-30(12-10-28)47-20-31-21-48-35(49-31,22-43-24-38-23-39-43)32-13-4-26(36)19-33(32)37/h4-13,19,23-25,31H,2-3,14-18,20-22H2,1H3/t31-,35-/m0/s1
IUPAC
2-butyl-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]-1,2,4-triazol-3-one
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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