Products 91934-98-4

CAS 91934-98-4 appears in our catalog under these names: Mifepristone Impurity 4, Mifepristone N-Oxide. Offered by: Chemat Brand, Mikromol. Available pack sizes: on request, 25mg, 100mg.

Mifepristone Impurity 4
Chemat Brand
  • size: on request
  • Variants: 1
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Mifepristone N-Oxide
Mikromol
  • size: 25mg, 100mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

4-[(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N,N-dimethylbenzeneamine oxide (CAS 91934-98-4) is a chemical compound with the molecular formula C29H35NO3 and a molecular weight of 445.6 g/mol. IUPAC name: 4-[(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N,N-dimethylbenzeneamine oxide. InChIKey: GRLNVOPCHNVDKT-GCNJZUOMSA-N.

Identity
Molecular formulaC29H35NO3
Molecular weight445.6 g/mol
IUPAC name4-[(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]-N,N-dimethylbenzeneamine oxide
InChIKeyGRLNVOPCHNVDKT-GCNJZUOMSA-N
SMILESCC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)[N+](C)(C)[O-])C)O

Computed by PubChem (NCBI)

Synonyms: Mifepristone N-Oxide, Mifepristone Impurity 4
Isomers (same molecular formula)
(8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxyprop-1-ynyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one C29H35NO3
N,N-bis[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide C29H35NO3