Chem
J-GLOBAL ID:200907080216041996   Nikkaji number:J5.559J

Narceine

ナルセイン
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: C23H27NO8
Molecular formula furigana: C23-H27-N-O8
Molecular weight: 445.468
InChI: InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)
InChI key: DEXMFYZAHXMZNM-UHFFFAOYSA-N
SMILES: COc1ccc(C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC)c(C(=O)O)c1OC
Systematic name  (3):
  • 6-[[6-[2-(ジメチルアミノ)エチル]-4-メトキシ-1,3-ベンゾジオキソール-5-イル]アセチル]-2,3-ジメトキシ安息香酸
  • 6-(2-{6-[2-(ジメチルアミノ)エチル]-4-メトキシ-2H-1,3-ベンゾジオキソール-5-イル}アセチル)-2,3-ジメトキシ安息香酸
  • 6-(2-{6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoic acid
Other name (4):
  • ナルセイン
  • Narceine
  • 6-[[6-[2-(Dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
  • Narcein
CAS registry number: 131-28-2
Regulation number (1):
  • EINECS2050210
KEGG COMPOUND: C09591
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