Chem
J-GLOBAL ID：201507074939062123   Nikkaji number：J3.339.780A

MRX-I

コンテゾリド
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： C18H15F3N4O4
Molecular formula furigana： C18-H15-F3-N4-O4
Molecular weight： 408.337
InChI： InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1
InChI key： SULYVXZZUMRQAX-NSHDSACASA-N
SMILES： Fc1cc(N2C[C@H](CNc3ccon3)OC2=O)c(F)c(F)c1N1CCC(=O)C=C1
Systematic name  (3)：
  • (5S)-3-[2,3,5-トリフルオロ-4-(4-オキソ-1,2,3,4-テトラヒドロピリジン-1-イル)フェニル]-5α-[[(イソオキサゾール-3-イル)アミノ]メチル]オキサゾリジン-2-オン
  • 1-{2,3,6-トリフルオロ-4-[(5S)-5-{[(1,2-オキサゾール-3-イル)アミノ]メチル}-2-オキソ-1,3-オキサゾリジン-3-イル]フェニル}-1,2,3,4-テトラヒドロピリジン-4-オン
  • 1-{2,3,6-trifluoro-4-[(5S)-5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl]phenyl}-1,2,3,4-tetrahydropyridin-4-one
Other name (4)：
  • (5S)-3-[2,3,5-Trifluoro-4-(4-oxo-1,2,3,4-tetrahydropyridine-1-yl)phenyl]-5α-[[(isoxazole-3-yl)amino]methyl]oxazolidine-2-one
  • MRX-I
  • Contezolid
  • コンテゾリド
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