CAS 89848-51-1 Butyl Itraconazole - Analytical Products / Alfa Chemistry

CAT	APS89848511
CAS	89848-51-1
Structure
Synonyms	2-Butyl-4-[4-[4-[4-[[cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, Itraconazole Imp. F (EP)
IUPAC Name	2-butyl-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
Molecular Weight	705.63
Molecular Formula	C35H38Cl2N8O4
Canonical SMILES	CCCCN1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4
InChI	InChI=1S/C35H38Cl2N8O4/c1-2-3-14-45-34(46)44(25-40-45)29-7-5-27(6-8-29)41-15-17-42(18-16-41)28-9-11-30(12-10-28)47-20-31-21-48-35(49-31,22-43-24-38-23-39-43)32-13-4-26(36)19-33(32)37/h4-13,19,23-25,31H,2-3,14-18,20-22H2,1H3/t31-,35-/m0/s1

Accurate Mass	704.2393
Format	Neat
Subcategory	Oxysterol-binding protein inhibitors, Impurity standards, Antimycotics
Type	Impurity