Chem
J-GLOBAL ID：200907002757916978   Nikkaji number：J8.507C

Tritoqualine

トリトカリン
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： C26H32N2O8
Molecular formula furigana： C26-H32-N2-O8
Molecular weight： 500.548
InChI： InChI=1S/C26H32N2O8/c1-6-31-23-17-16(18(27)24(32-7-2)25(23)33-8-3)26(29)36-21(17)19-15-13(9-10-28(19)4)11-14-20(22(15)30-5)35-12-34-14/h11,19,21H,6-10,12,27H2,1-5H3
InChI key： IRGJVQIJENCTQF-UHFFFAOYSA-N
SMILES： CCOc1c2C(OC(=O)c2c(N)c(OCC)c1OCC)C1N(C)CCc2cc3OCOc3c(OC)c12
Systematic name  (3)：
  • 7-アミノ-4,5,6-トリエトキシ-3-(5,6,7,8-テトラヒドロ-4-メトキシ-6-メチル-1,3-ジオキソロ[4,5-g]イソキノリン-5-イル)イソベンゾフラン-1(3H)-オン
  • 7-アミノ-4,5,6-トリエトキシ-3-{4-メトキシ-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}-1,3-ジヒドロ-2-ベンゾフラン-1-オン
  • 7-amino-4,5,6-triethoxy-3-{4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}-1,3-dihydro-2-benzofuran-1-one
Other name (10)：
  • トリトカリン
  • Tritoqualine
  • 7-Amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one
  • TRQ
  • Tritocalin
Show all
CAS registry number： 14504-73-5
KEGG DRUG： D07405
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