CAS 1199350-00-9 Itraconazole Desethylene-seco-piperazine Mono-N-formyl Impurity

CAT	APS1199350009
CAS	1199350-00-9
Synonyms	rel-N-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-N-[2-[[4-[1,5-dihydro-1-(1-methylpropyl)-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]amino]ethyl]formamide
IUPAC Name	N-[2-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)anilino]ethyl]-N-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]formamide
Molecular Weight	707.61
Molecular Formula	C34H36Cl2N8O5
Canonical SMILES	CCC(C)N1N=CN(C1=O)c2ccc(NCCN(C=O)c3ccc(OC[C@H]4CO[C@@](Cn5cncn5)(O4)c6ccc(Cl)cc6Cl)cc3)cc2
InChI	InChI=1S/C34H36Cl2N8O5/c1-3-24(2)44-33(46)43(22-40-44)28-7-5-26(6-8-28)38-14-15-41(23-45)27-9-11-29(12-10-27)47-17-30-18-48-34(49-30,19-42-21-37-20-39-42)31-13-4-25(35)16-32(31)36/h4-13,16,20-24,30,38H,3,14-15,17-19H2,1-2H3/t24?,30-,34-/m0/s1

Accurate Mass	706.2186
Format	Neat
Subcategory	Oxysterol-binding protein inhibitors, Impurity standards, Antimycotics
Type	Impurity

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