Chem
J-GLOBAL ID：201707000491745200   Nikkaji number：J3.538.628I

Eribaxaban

エリバキサバン
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： C24H22ClFN4O4
Molecular formula furigana： C24-H22-CL-F-N4-O4
Molecular weight： 484.910
InChI： InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18?,21-/m1/s1
InChI key： QQBKAVAGLMGMHI-BDPMCISCSA-N
SMILES： COC1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1F)n1ccccc1=O
Systematic name  (3)：
  • N-(4-クロロフェニル)-N′-[2-フルオロ-4-[2-オキソピリジン-1(2H)-イル]フェニル]-4-メトキシピロリジン-1,2β-ジカルボアミド
  • (2R)-N1-(4-クロロフェニル)-N2-[2-フルオロ-4-(2-オキソ-1,2-ジヒドロピリジン-1-イル)フェニル]-4-メトキシピロリジン-1,2-ジカルボキサミド
  • (2R)-N1-(4-chlorophenyl)-N2-[2-fluoro-4-(2-oxo-1,2-dihydropyridin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
Other name (3)：
  • N-(4-Chlorophenyl)-N′-[2-fluoro-4-[2-oxopyridine-1(2H)-yl]phenyl]-4-methoxypyrrolidine-1,2β-dicarboxamide
  • エリバキサバン
  • Eribaxaban
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