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Itraconazole Desethylene-seco-piperazine Di-N-formyl Impurity, TRC

Product Code. 30395195
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Product Code. 30395195 Supplier Toronto Research Chemicals Supplier No. TRCI9375651MG

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Description

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Specifications

Chemical Name or Material Itraconazole Desethylene-seco-Piperazine di-N-Formyl
CAS 1199350-02-1
Molecular Formula C35 H36 Cl2 N8 O6
Quantity 1 mg
Synonym rel-N-[2-[[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]formylamino]ethyl]-N-[4-[1,5-dihydro-1-(1-methylpropyl)-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]formamide
InChI Formula InChI=1S/C35H36Cl2N8O6/c1-3-25(2)45-34(48)44(22-40-45)29-7-5-27(6-8-29)41(23-46)14-15-42(24-47)28-9-11-30(12-10-28)49-17-31-18-50-35(51-31,19-43-21-38-20-39-43)32-13-4-26(36)16-33(32)37/h4-13,16,20-25,31H,3,14-15,17-19H2,1-2H3/t25?,31-,35-/m0/s1
SMILES CCC(C)N1N=CN(C1=O)c2ccc(cc2)N(CCN(C=O)c3ccc(OC[C@H]4CO[C@@](Cn5cncn5)(O4)c6ccc(Cl)cc6Cl)cc3)C=O
IUPAC Name N-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]-N-[2-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-N-formylanilino]ethyl]formamide
Molecular Weight (g/mol) 735.62
Formula Weight 734.2135
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