Ketoconazole N-Oxide
Product Specifications
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
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
CC(=O)N1CC[N+]([O-])(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2
Molecular Formula
C26 H28 Cl2 N4 O5
Molecular Weight
547.43
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
Additionnal Information
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
Shipping Conditions
Room Temperature
CAS Number
254912-65-7
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