Chem
J-GLOBAL ID：200907074440417390   Nikkaji number：J2.757.333I

Befetinib

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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： C30H31F3N8O
Molecular formula furigana： C30-H31-F3-N8-O
Molecular weight： 576.628
InChI： InChI=1S/C30H31F3N8O/c1-19-4-7-24(11-27(19)39-29-36-14-23(15-37-29)22-12-34-18-35-13-22)38-28(42)20-5-6-21(26(10-20)30(31,32)33)16-41-9-8-25(17-41)40(2)3/h4-7,10-15,18,25H,8-9,16-17H2,1-3H3,(H,38,42)(H,36,37,39)/t25-/m0/s1
InChI key： ZOPBZHLJXQAQON-VWLOTQADSA-N
SMILES： CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3ncc(cn3)c3cncnc3)c2)C1
Systematic name  (3)：
  • N-[3-([5,5′-ビピリミジン]-2-イルアミノ)-4-メチルフェニル]-4-[[(3S)-3-(ジメチルアミノ)ピロリジノ]メチル]-3-(トリフルオロメチル)ベンズアミド
  • N-[3-({[5,5'-ビピリミジン]-2-イル}アミノ)-4-メチルフェニル]-4-{[(3S)-3-(ジメチルアミノ)ピロリジン-1-イル]メチル}-3-(トリフルオロメチル)ベンズアミド
  • N-[3-({[5,5'-bipyrimidin]-2-yl}amino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide
Other name (3)：
  • N-[3-([5,5′-Bipyrimidine]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)pyrrolizino]methyl]-3-(trifluoromethyl)benzamide
  • Bafetinib
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CAS registry number： 887650-05-7
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