Chem
J-GLOBAL ID：200907026851788203   Nikkaji number：J551.203D

N-Methylcanadine

N-メチルカナジン
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： C21H24[N+]O4
Molecular formula furigana： C21-H24-N-O4
Molecular weight： 354.425
InChI： InChI=1S/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1/t17-,22?/m0/s1
InChI key： IPABSWBNWMXCHM-LBOXEOMUSA-N
SMILES： COc1ccc2C[C@H]3c4cc5OCOc5cc4CC[N+]3(C)Cc2c1OC
Systematic name  (5)：
  • 5,8,13,13aα-テトラヒドロ-7-メチル-9,10-ジメトキシ-6H-ベンゾ[g]-1,3-ベンゾジオキソロ[5,6-a]キノリジン-7-イウム
  • (13aS)-5,8,13,13a-テトラヒドロ-9,10-ジメトキシ-7-メチル-6H-ベンゾ[g]-1,3-ベンゾジオキソロ[5,6-a]キノリジニウム
  • (13aS)-5,8,13,13a-テトラヒドロ-9,10-ジメトキシ-7-メチル-6H-ベンゾ[g]-1,3-ベンゾジオキソロ[5,6-a]キノリジン-7-イウム
  • (1S)-16,17-ジメトキシ-13-メチル-5,7-ジオキサ-13-アザペンタシクロ[11.8.0.02,10.04,8.015,20]ヘンイコサ-2,4(8),9,15,17,19-ヘキサエン-13-イウム
  • (1S)-16,17-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaen-13-ium
Other name (6)：
  • N-メチルカナジン
  • N-Methylcanadine
  • (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-7-methyl-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
  • (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-7-methyl-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine-7-ium
  • (S)-N-Methylcanadine
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KEGG COMPOUND： C02915
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