Chem
J-GLOBAL ID：200907005428354062   Nikkaji number：J51.933B

(-)-Secobarbital

(-)-セコバルビタール
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： C12H18N2O3
Molecular formula furigana： C12-H18-N2-O3
Molecular weight： 238.287
InChI： InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/t8-/m0/s1
InChI key： KQPKPCNLIDLUMF-QMMMGPOBSA-N
SMILES： CCC[C@H](C)C1(CC=C)C(=O)NC(=O)NC1=O
Systematic name  (5)：
  • 5-アリル-5-[(S)-1-メチルブチル]バルビツル酸
  • (-)-5-アリル-5-[(S)-1-メチルブチル]バルビツル酸
  • (-)-5-アリル-5-[(S)-1-メチルブチル]-2,4,6(1H,3H,5H)-ピリミジントリオン
  • 5-[(2S)-ペンタン-2-イル]-5-(プロパ-2-エン-1-イル)-1,3-ジアジナン-2,4,6-トリオン
  • 5-[(2S)-pentan-2-yl]-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Other name (4)：
  • (-)-セコバルビタール
  • (-)-Secobarbital
  • (-)-5-Allyl-5-[(S)-1-methylbutyl]barbituric acid
  • (-)-5-Allyl-5-[(S)-1-methylbutyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
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