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Product Code
TRC-H943600
CAS Number
Product Format
Neat
Molecular Formula
C35 H40 Cl2 N8 O4
Molecular Weight
707.65
API Family
ItraconazoleProduct Categories
TRC, Fungicides and metabolites, Infectious Disease Research Chemicals and Analytical Standards
Product Type
MetabolitePurity
>95% (HPLC)
Drug Type
Antifungals
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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
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
API Family
Purity
>95% (HPLC)
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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