Chem
J-GLOBAL ID：200907051307989429   Nikkaji number：J436.200D

Septorin

セプトリン
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： C16H18N2O4
Molecular formula furigana： C16-H18-N2-O4
Molecular weight： 302.330
InChI： InChI=1S/C16H18N2O4/c1-4-9(2)12-15(21)17-13(16(18-12)22-3)14(20)10-5-7-11(19)8-6-10/h5-9,19H,4H2,1-3H3,(H,17,21)/t9-/m0/s1
InChI key： RNMOAWSVAHZYEV-VIFPVBQESA-N
SMILES： CC[C@H](C)c1nc(OC)c([nH]c1=O)C(=O)c1ccc(O)cc1
Systematic name  (4)：
  • 6-(4-ヒドロキシベンゾイル)-5-メトキシ-3-[(S)-1-メチルプロピル]ピラジン-2(1H)-オン
  • [3-メトキシ-5-[(S)-1-メチルプロピル]-6-ヒドロキシ-2-ピラジニル](4-ヒドロキシフェニル)ケトン
  • 3-[(2S)-ブタン-2-イル]-6-(4-ヒドロキシベンゾイル)-5-メトキシ-1,2-ジヒドロピラジン-2-オン
  • 3-[(2S)-butan-2-yl]-6-(4-hydroxybenzoyl)-5-methoxy-1,2-dihydropyrazin-2-one
Other name (5)：
  • セプトリン
  • Septorine
  • 6-(4-Hydroxybenzoyl)-5-methoxy-3-[(S)-1-methylpropyl]pyrazin-2(1H)-one
  • [3-Methoxy-5-[(S)-1-methylpropyl]-6-hydroxy-2-pyrazinyl](4-hydroxyphenyl) ketone
  • Septorin
CAS registry number： 67332-36-9
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