Chem
J-GLOBAL ID：201707002912125373   Nikkaji number：J3.637.461F

(S)-Crizotinib

(S)-クリゾチニブ
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： C21H22Cl2FN5O
Molecular formula furigana： C21-H22-CL2-F-N5-O
Molecular weight： 450.340
InChI： InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1
InChI key： KTEIFNKAUNYNJU-LBPRGKRZSA-N
SMILES： C[C@H](Oc1cc(cnc1N)c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Systematic name  (3)：
  • 3-[(1S)-1-(2,6-ジクロロ-3-フルオロフェニル)エトキシ]-5-[1-(4-ピペリジニル)-1H-ピラゾール-4-イル]ピリジン-2-アミン
  • 3-[(1S)-1-(2,6-ジクロロ-3-フルオロフェニル)エトキシ]-5-[1-(ピペリジン-4-イル)-1H-ピラゾール-4-イル]ピリジン-2-アミン
  • 3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine
Other name (3)：
  • 3-[(1S)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazole-4-yl]pyridine-2-amine
  • (S)-クリゾチニブ
  • (S)-Crizotinib
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