Chem
J-GLOBAL ID：200907028777116900   Nikkaji number：J2.771.707A

Isolobinine

イソロビニン
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： C18H25NO2
Molecular formula furigana： C18-H25-N-O2
Molecular weight： 287.403
InChI： InChI=1S/C18H25NO2/c1-3-17(20)12-15-10-7-11-16(19(15)2)13-18(21)14-8-5-4-6-9-14/h4-10,15-17,20H,3,11-13H2,1-2H3
InChI key： SEUNPTJHBYYPOX-UHFFFAOYSA-N
SMILES： CCC(O)CC1C=CCC(CC(=O)c2ccccc2)N1C
Systematic name  (3)：
  • 1-(1,2,5,6-テトラヒドロ-1-メチル-6-フェナシルピリジン-2-イル)-2-ブタノール
  • 2-[6-(2-ヒドロキシブチル)-1-メチル-1,2,3,6-テトラヒドロピリジン-2-イル]-1-フェニルエタン-1-オン
  • 2-[6-(2-hydroxybutyl)-1-methyl-1,2,3,6-tetrahydropyridin-2-yl]-1-phenylethan-1-one
Other name (3)：
  • 1-(1,2,5,6-Tetrahydro-1-methyl-6-phenacylpyridine-2-yl)-2-butanol
  • Isolobinine
  • イソロビニン
CAS registry number： 530-12-1
KEGG COMPOUND： C10153
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