CAS 254912-65-7 Ketoconazole N-Oxide - Analytical Products / Alfa Chemistry

CAT	APS254912657
CAS	254912-65-7
Structure
Synonyms	Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-oxido-1-piperazinyl]-, rel-, Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, 4-oxide, rel- (9CI), R 053165
IUPAC Name	1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-oxidopiperazin-4-ium-1-yl]ethanone
Molecular Weight	547.43
Molecular Formula	C26H28Cl2N4O5
Canonical SMILES	CC(=O)N1CC[N+]([O-])(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2
InChI	InChI=1S/C26H28Cl2N4O5/c1-19(33)31-10-12-32(34,13-11-31)21-3-5-22(6-4-21)35-15-23-16-36-26(37-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1

Accurate Mass	546.1437
API Family	Matrix - API Family Ketoconazole
Format	Neat
Product Type	Impurity
Shipping	Room Temperature
Storage Conditions	+5°C
Subcategory	Mikromol, Impurity standards, Antimycotics