Chem
J-GLOBAL ID：200907040255156391   Nikkaji number：J143.151J

Vallesamidine

バレサミジン
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： C20H28N2
Molecular formula furigana： C20-H28-N2
Molecular weight： 296.458
InChI： InChI=1S/C20H28N2/c1-3-19-10-6-13-22-14-9-16-15-7-4-5-8-17(15)21(2)20(16,12-11-19)18(19)22/h4-5,7-8,16,18H,3,6,9-14H2,1-2H3/t16-,18-,19-,20+/m1/s1
InChI key： OEXGDKRAUFQNRI-AFYVEPGGSA-N
SMILES： CC[C@]12CC[C@]34[C@H](CCN(CCC1)[C@H]23)c1ccccc1N4C
Systematic name  (4)：
  • バレサミジン
  • (6aR,11aS)-13aα-エチル-2,3,5,6,6aβ,11,12,13,13a,13bα-デカヒドロ-11-メチル-1H-シクロペンタ[ij]インドロ[2,3-a]キノリジン
  • (1S,9R,16R,19R)-16-エチル-2-メチル-2,12-ジアザペンタシクロ[10.6.1.01,9.03,8.016,19]ノナデカ-3,5,7-トリエン
  • (1S,9R,16R,19R)-16-ethyl-2-methyl-2,12-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-triene
Other name (4)：
  • Vallesamidine
  • (6aR,11aS)-13aα-Ethyl-2,3,5,6,6aβ,11,12,13,13a,13bα-decahydro-11-methyl-1H-cyclopent[ij]indolo[2,3-a]quinolizine
  • (-)-バレサミジン
  • (-)-Vallesamidine
CAS registry number： 19637-77-5
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