Chem
J-GLOBAL ID：201507047837418961   Nikkaji number：J3.349.111E

THK-5351

THK-5351
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： C18H18FN3O2
Molecular formula furigana： C18-H18-F-N3-O2
Molecular weight： 327.359
InChI： InChI=1S/C18H18FN3O2/c1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h2-8,10,14,23H,9,11H2,1H3,(H,20,21)/t14-/m1/s1
InChI key： DLVXFZWSPCOWSN-CQSZACIVSA-N
SMILES： CNc1ccc(cn1)c1ccc2cc(OC[C@H](O)CF)ccc2n1
Systematic name  (3)：
  • 2-(6-メチルアミノピリジン-3-イル)-6-[(S)-3-フルオロ-2-ヒドロキシ-プロピルオキシ]キノリン
  • (2S)-1-フルオロ-3-({2-[6-(メチルアミノ)ピリジン-3-イル]キノリン-6-イル}オキシ)プロパン-2-オール
  • (2S)-1-fluoro-3-({2-[6-(methylamino)pyridin-3-yl]quinolin-6-yl}oxy)propan-2-ol
Other name (3)：
  • 2-(6-Methylaminopyridine-3-yl)-6-[(S)-3-fluoro-2-hydroxy-propyloxy]quinoline
  • THK-5351
  • THK5351
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