Des-(2-butyl) N-Allyl Itraconazole
Product Code
TRC-D297563-500MG
CAS Number
Product Format
Neat
Molecular Formula
C34 H34 Cl2 N8 O4
Molecular Weight
689.591
Product Categories
Product Information
Product Data
Analyte Name
Des-(2-butyl) N-Allyl Itraconazole
CAS Number
89848-54-4
Molecular Formula
C34 H34 Cl2 N8 O4
Molecular Weight
689.591
Accurate Mass
688.208
SMILES
Clc1ccc(c(Cl)c1)[C@@]2(Cn3cncn3)OC[C@H](COc4ccc(cc4)N5CCN(CC5)c6ccc(cc6)N7C=NN(CC=C)C7=O)O2
InChI
InChI=1S/C34H34Cl2N8O4/c1-2-13-44-33(45)43(24-39-44)28-6-4-26(5-7-28)40-14-16-41(17-15-40)27-8-10-29(11-9-27)46-19-30-20-47-34(48-30,21-42-23-37-22-38-42)31-12-3-25(35)18-32(31)36/h2-12,18,22-24,30H,1,13-17,19-21H2/t30-,34-/m0/s1
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-prop-2-enyl-1,2,4-triazol-3-one
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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