Chem
J-GLOBAL ID：200907042871678892   Nikkaji number：J9.378E

Emetamine

エメタミン
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： C29H36N2O4
Molecular formula furigana： C29-H36-N2-O4
Molecular weight： 476.617
InChI： InChI=1S/C29H36N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h7,9,13-16,18,21,25H,6,8,10-12,17H2,1-5H3/t18-,21-,25-/m0/s1
InChI key： MBYXEBXZARTUSS-HMHJJOSWSA-N
SMILES： CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1Cc1nccc2cc(OC)c(OC)cc12
Systematic name  (3)：
  • 1′,2′,3′,4′-テトラデヒドロ-6′,7′,10,11-テトラメトキシエメタン
  • 1-{[(2R,3R,11bS)-3-エチル-9,10-ジメトキシ-1H,2H,3H,4H,6H,7H,11bH-ピリド[2,1-a]イソキノリン-2-イル]メチル}-6,7-ジメトキシイソキノリン
  • 1-{[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl]methyl}-6,7-dimethoxyisoquinoline
Other name (3)：
  • エメタミン
  • Emetamine
  • 1′,2′,3′,4′-Tetradehydro-6′,7′,10,11-tetramethoxyemetan
CAS registry number： 483-19-2
KEGG COMPOUND： C09420
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