Chem
J-GLOBAL ID：200907010666494860   Nikkaji number：J108.007E

Bicuculline

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： C20H17NO6
Molecular formula furigana： C20-H17-N-O6
Molecular weight： 367.357
InChI： InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
InChI key： IYGYMKDQCDOMRE-ZWKOTPCHSA-N
SMILES： CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Systematic name  (3)：
  • (6R)-6-[(5S)-5,6,7,8-テトラヒドロ-6-メチル-1,3-ジオキソロ[4,5-g]イソキノリン-5-イル]フロ[3,4-e]-1,3-ベンゾジオキソール-8(6H)-オン
  • (10R)-10-[(5S)-6-メチル-2H,5H,6H,7H,8H-[1,3]ジオキソロ[4,5-g]イソキノリン-5-イル]-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-12-オン
  • (10R)-10-[(5S)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3,5,11-trioxatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-trien-12-one
Other name (5)：
  • ビククリン
  • Bicuculline
  • (6R)-6-[(5S)-5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one
  • (+)-ビククリン
  • (+)-Bicuculline
CAS registry number： 485-49-4
Regulation number (2)：
  • EINECS2076197
  • DT4550000
KEGG COMPOUND： C09364
Application (1)：
convulsant
Thsaurus map：
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