Chem
J-GLOBAL ID：200907090975316520   Nikkaji number：J276.397D

(1S,9R)- N-Methylbicuculline

(1S,9R)-N-メチルビククリン
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： C21H20[N+]O6
Molecular formula furigana： C21-H20-N-O6
Molecular weight： 382.391
InChI： InChI=1S/C21H20NO6/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3/q+1/t18-,19+/m0/s1
InChI key： WDIQXKYUSINZME-RBUKOAKNSA-N
SMILES： C[N+]1(C)CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Systematic name  (6)：
  • (6R)-6-[[(5S)-6,6-ジメチル-5,6,7,8-テトラヒドロ-1,3-ジオキソロ[4,5-g]イソキノリン-6-イウム]-5-イル]フロ[3,4-e]-1,3-ベンゾジオキソール-8(6H)-オン
  • (6R)-6-[[(5S)-5,6,7,8-テトラヒドロ-6,6-ジメチル-1,3-ジオキソロ[4,5-g]イソキノリン-6-イウム]-5-イル]フロ[3,4-e]-1,3-ベンゾジオキソール-8(6H)-オン
  • (5S)-5β-[(R)-8-オキソ-6,8-ジヒドロフロ[3,4-e]-1,3-ベンゾジオキソール-6α-イル]-6,6-ジメチル-5,6,7,8-テトラヒドロ-1,3-ジオキソロ[4,5-g]イソキノリン-6-イウム
  • 5β-(6,8-ジヒドロ-8-オキソフロ[3,4-e]-1,3-ベンゾジオキソール-6α-イル)-6,6-ジメチル-5,6,7,8-テトラヒドロ-1,3-ジオキソロ[4,5-g]イソキノリン-6-イウム
  • (5S)-6,6-ジメチル-5-[(10R)-12-オキソ-3,5,11-トリオキサトリシクロ[7.3.0.02,6]ドデカ-1(9),2(6),7-トリエン-10-イル]-2H,5H,6H,7H,8H-[1,3]ジオキソロ[4,5-g]イソキノリン-6-イウム
Show all
Other name (5)：
  • (6R)-6-[[(5S)-5,6,7,8-Tetrahydro-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolin-6-ium]-5-yl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one
  • (5S)-5β-[(R)-8-Oxo-6,8-dihydrofuro[3,4-e]-1,3-benzodioxole-6α-yl]-6,6-dimethyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline-6-ium
  • (1S,9R)-N-メチルビククリン
  • (1S,9R)- N-Methylbicuculline
  • 5β-(6,8-Dihydro-8-oxofuro[3,4-e]-1,3-benzodioxole-6α-yl)-6,6-dimethyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline-6-ium
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