Chem
J-GLOBAL ID：200907057011523791   Nikkaji number：J2.204.291B

Astrocasine

アストロカシン
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： C20H26N2O
Molecular formula furigana： C20-H26-N2-O
Molecular weight： 310.441
InChI： InChI=1S/C20H26N2O/c1-21-13-5-4-8-18(21)16-9-11-19-17-7-3-2-6-15(17)10-12-20(23)22(19)14-16/h2-3,6-7,10,12,16,18-19H,4-5,8-9,11,13-14H2,1H3/t16-,18?,19+/m0/s1
InChI key： SYCAKKSJEGVPOL-DDPXNHEPSA-N
SMILES： CN1CCCCC1[C@H]1CC[C@H]2N(C1)C(=O)C=Cc1ccccc21
Systematic name  (3)：
  • (3S,12bR)-1,2,3,4-テトラヒドロ-3-(1-メチル-2-ピペリジニル)ピリド[2,1-a][2]ベンゾアゼピン-6(12bH)-オン
  • (2R,5S)-5-(1-メチルピペリジン-2-イル)-7-アザトリシクロ[9.4.0.02,7]ペンタデカ-1(15),9,11,13-テトラエン-8-オン
  • (2R,5S)-5-(1-methylpiperidin-2-yl)-7-azatricyclo[9.4.0.02,7]pentadeca-1(15),9,11,13-tetraen-8-one
Other name (3)：
  • (3S,12bR)-1,2,3,4-Tetrahydro-3-(1-methyl-2-piperidinyl)pyrido[2,1-a][2]benzoazepine-6(12bH)-one
  • アストロカシン
  • Astrocasine
KEGG COMPOUND： C10130
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