Chem
J-GLOBAL ID:200907080216041996
Nikkaji number:J5.559J
Narceine
ナルセイン
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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:
C23 H27 NO8
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):
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