Itraconazole CRS
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- structure.search.product.name Itraconazole CRS
- Product Code: EPI7000000
- CAS Number: 84625-61-6
- Brand: EDQM
Product Overview
Product Code
EPI7000000
CAS Number
Product Format
Neat
Regulatory Method
Monograph only
Molecular Formula
C35 H38 Cl2 N8 O4
Molecular Weight
705.63
API Family
ItraconazoleProduct Categories
Product Type
APIAnalytical Method
Monograph only
Documentation
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Product Information
Analyte Data
Analyte Name
Itraconazole
CAS Number
84625-61-6
Molecular Formula
C35 H38 Cl2 N8 O4
Molecular Weight
705.63
Accurate Mass
704.2393
Flash Point
5
SMILES
CCC(C)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
IUPAC
2-butan-2-yl-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
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
FRANCE
Tariff Code
29349990
Product Type
API
Product Format
Neat
API Family
Analytical Method
Monograph only