Chem
J-GLOBAL ID：201407094996868910   Nikkaji number：J3.291.103J

Rociletinib

ロシレチニブ
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： C27H28F3N7O3
Molecular formula furigana： C27-H28-F3-N7-O3
Molecular weight： 555.562
InChI： InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
InChI key： HUFOZJXAKZVRNJ-UHFFFAOYSA-N
SMILES： COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(=O)C
Systematic name  (3)：
  • N-[3-[2-[[4-(4-アセチルピペラジン-1-イル)-2-メトキシフェニル]アミノ]-5-(トリフルオロメチル)ピリミジン-6-イルアミノ]フェニル]アクリルアミド
  • N-{3-[(2-{[4-(4-アセチルピペラジン-1-イル)-2-メトキシフェニル]アミノ}-5-(トリフルオロメチル)ピリミジン-4-イル)アミノ]フェニル}プロパ-2-エンアミド
  • N-{3-[(2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl)amino]phenyl}prop-2-enamide
Other name (4)：
  • N-[3-[2-[[4-(4-Acetylpiperazine-1-yl)-2-methoxyphenyl]amino]-5-(trifluoromethyl)pyrimidine-6-ylamino]phenyl]acrylamide
  • CO-1686
  • ロシレチニブ
  • Rociletinib
CAS registry number： 1374640-70-6
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