Chem
J-GLOBAL ID：200907049627136713   Nikkaji number：J6.614A

Narcotoline

ナルコトリン
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： C21H21NO7
Molecular formula furigana： C21-H21-N-O7
Molecular weight： 399.399
InChI： InChI=1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1
InChI key： LMGZCSKYOKDBES-AEFFLSMTSA-N
SMILES： COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3c(O)c12
Systematic name  (3)：
  • (3S)-6,7-ジメトキシ-3-[(5R)-5,6,7,8-テトラヒドロ-4-ヒドロキシ-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
  • (3S)-3-[(5R)-4-ヒドロキシ-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]-6,7-ジメトキシ-1,3-ジヒドロ-2-ベンゾフラン-1-オン
  • (3S)-3-[(5R)-4-hydroxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one
Other name (5)：
  • ナルコトリン
  • デスメチルナルコチン
  • Narcotoline
  • Desmethylnarcotine
  • (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]isobenzofuran-1(3H)-one
CAS registry number： 521-40-4
Regulation number (1)：
  • EINECS2083136
KEGG COMPOUND： C09593
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM