Chem
J-GLOBAL ID：200907026682987439   Nikkaji number：J8.657F

Coptisine

コプチシン
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： C19H14[N+]O4
Molecular formula furigana： C19-H14-N-O4
Molecular weight： 320.323
InChI： InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1
InChI key： XYHOBCMEDLZUMP-UHFFFAOYSA-N
SMILES： C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4c3cc2O1
Systematic name  (4)：
  • 6,7-ジヒドロビス[1,3]ベンゾジオキソロ[5,6-a:4′,5′-g]キノリジニウム
  • 5,6-ジヒドロ-2,3:9,10-ビス(メチレンジオキシ)ジベンゾ[a,g]キノリジニウム
  • 5,7,17,19-テトラオキサ-13λ5-アザヘキサシクロ[11.11.0.02,10.04,8.015,23.016,20]テトラコサ-1(13),2(10),3,8,14,16(20),21,23-オクタエン-13-イリウム
  • 5,7,17,19-tetraoxa-13λ5-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2(10),3,8,14,16(20),21,23-octaen-13-ylium
Other name (4)：
  • コプチシン
  • Coptisine
  • 6,7-Dihydrobis[1,3]benzodioxolo[5,6-a:4′,5′-g]quinolizinium
  • 5,6-Dihydro-2,3:9,10-bis(methylenedioxy)dibenzo[a,g]quinolizinium
CAS registry number： 3486-66-6
KEGG COMPOUND： C16938
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