Chem
J-GLOBAL ID：200907034560759454   Nikkaji number：J365.967D

Tamoxifen N-oxide

タモキシフェンN-オキシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H29[N+]O[O-]
Molecular formula furigana： C26-H29-N-O2
Molecular weight： 387.523
InChI： InChI=1S/C26H29NO2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/b26-25-
InChI key： YAASNACECBQAFW-QPLCGJKRSA-N
SMILES： CC/C(=C(\c1ccccc1)/c1ccc(OCC[N+](C)(C)[O-])cc1)/c1ccccc1
Systematic name  (3)：
  • 2-[4-[(Z)-1,2-ジフェニル-1-ブテニル]フェノキシ]-N,N-ジメチルエタンアミンN-オキシド
  • 2-{4-[(1Z)-1,2-ジフェニルブタ-1-エン-1-イル]フェノキシ}-N,N-ジメチルエタンアミン オキシド
  • 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine oxide
Other name (3)：
  • Tamoxifen N-oxide
  • タモキシフェンN-オキシド
  • 2-[4-[(Z)-1,2-Diphenyl-1-butenyl]phenoxy]-N,N-dimethylethanamineN-oxide
CAS registry number： 75504-34-6
KEGG COMPOUND： C16545
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