Chem
J-GLOBAL ID：201007019992022128   Nikkaji number：J2.867.473B

Betrixaban

ベトリキサバン
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： C23H22ClN5O3
Molecular formula furigana： C23-H22-CL-N5-O3
Molecular weight： 451.910
InChI： InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
InChI key： XHOLNRLADUSQLD-UHFFFAOYSA-N
SMILES： COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Systematic name  (3)：
  • N-[2-[(5-クロロ-2-ピリジル)カルバモイル]-4-メトキシフェニル]-4-[ジメチルアミノ(イミノ)メチル]ベンズアミド
  • N-(5-クロロピリジン-2-イル)-2-[4-(N,N-ジメチルカルバムイミドイル)ベンズアミド]-5-メトキシベンズアミド
  • N-(5-chloropyridin-2-yl)-2-[4-(N,N-dimethylcarbamimidoyl)benzamido]-5-methoxybenzamide
Other name (3)：
  • N-[2-[(5-Chloro-2-pyridyl)carbamoyl]-4-methoxyphenyl]-4-[dimethylamino(imino)methyl]benzamide
  • ベトリキサバン
  • Betrixaban
CAS registry number： 330942-05-7
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