CAS 1437468-62-6 Des-(1-(sec-butyl)-1H-1,2,4-triazol-5(4H)-one) Itraconazole

CAT	APS1437468626
CAS	1437468-62-6
Synonyms	4-(4-(4-(((2R,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)aniline, 4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-benzenamine
IUPAC Name	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]aniline
Molecular Weight	581.49
Molecular Formula	C29H30Cl2N6O3
Canonical SMILES	Nc1ccc(cc1)N2CCN(CC2)c3ccc(OC[C@H]4CO[C@@](Cn5cncn5)(O4)c6ccc(Cl)cc6Cl)cc3
InChI	InChI=1S/C29H30Cl2N6O3/c30-21-1-10-27(28(31)15-21)29(18-37-20-33-19-34-37)39-17-26(40-29)16-38-25-8-6-24(7-9-25)36-13-11-35(12-14-36)23-4-2-22(32)3-5-23/h1-10,15,19-20,26H,11-14,16-18,32H2/t26-,29-/m0/s1

Accurate Mass	580.1756
Format	Neat
Product Type	Impurity
Subcategory	Oxysterol-binding protein inhibitors, Impurity standards, Antimycotics

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