Product Information
Chemical Data
Analyte Name
Hydroxy Itraconazole
CAS Number
112559-91-8
Molecular Formula
C35 H40 Cl2 N8 O4
Molecular Weight
707.65
Accurate Mass
706.255
Flash Point
-20
SMILES
CCC(C)N1N=CN(C1O)c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4
InChI
InChI=1S/C35H40Cl2N8O4/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/h4-13,18,22-25,31,34,46H,3,14-17,19-21H2,1-2H3
IUPAC
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3H-1,2,4-triazol-3-ol
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
API Family
Purity
>95% (HPLC)
Product Description
A metabolite of Itraconazole, an orally active antimycotic structurally related to Ketoconazole. It is a COVID19-related research product.
References: Saag, M., et al.: Antimicrob. Agents Chemother., 32, 1 (1988),
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