Chem
J-GLOBAL ID：200907009594908403   Nikkaji number：J33.157K

Toremifene

トレミフェン
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： C26H28ClNO
Molecular formula furigana： C26-H28-CL-N-O
Molecular weight： 405.970
InChI： InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-
InChI key： XFCLJVABOIYOMF-QPLCGJKRSA-N
SMILES： CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c1ccccc1)/c1ccccc1
Systematic name  (4)：
  • 1-[2-(ジメチルアミノ)エトキシ]-4-[(Z)-1,2-ジフェニル-4-クロロ-1-ブテニル]ベンゼン
  • 2-[4-[(Z)-4-クロロ-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
  • (2-{4-[(1Z)-4-クロロ-1,2-ジフェニルブタ-1-エン-1-イル]フェノキシ}エチル)ジメチルアミン
  • (2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine
Other name (3)：
  • トレミフェン
  • Toremifene
  • 2-[4-[(Z)-4-Chloro-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethylethanamine
CAS registry number： 89778-26-7
KEGG DRUG： D08620
KEGG COMPOUND： C08166
Application (2)：
antiestrogen ,  antitumor drug
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