CAS 1199350-02-1 Itraconazole Desethylene-seco-piperazine Di-N-formyl Impurity

CAT	APS1199350021
CAS	1199350-02-1
Synonyms	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
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	735.62
Molecular Formula	C35H36Cl2N8O6
Canonical 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
InChI	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

Accurate Mass	734.2135
Format	Neat
Subcategory	Oxysterol-binding protein inhibitors, Impurity standards, Antimycotics
Type	Impurity

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