Chem
J-GLOBAL ID：201507072915051080   Nikkaji number：J3.341.567B

Dacomitinib

ダコミチニブ
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： C24H25ClFN5O2
Molecular formula furigana： C24-H25-CL-F-N5-O2
Molecular weight： 469.950
InChI： InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
InChI key： LVXJQMNHJWSHET-AATRIKPKSA-N
SMILES： COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1
Systematic name  (3)：
  • (E)-N-[4-(3-クロロ-4-フルオロアニリノ)-7-メトキシキナゾリン-6-イル]-4-ピペリジノ-2-ブテンアミド
  • (2E)-N-{4-[(3-クロロ-4-フルオロフェニル)アミノ]-7-メトキシキナゾリン-6-イル}-4-(ピペリジン-1-イル)ブタ-2-エンアミド
  • (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide
Other name (6)：
  • (E)-N-[4-(3-Chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidino-2-buteneamide
  • ダコミチニブ
  • Dacomitinib
  • PF-299804
  • PF-00299804
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CAS registry number： 1110813-31-4
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