Chem
J-GLOBAL ID:200907073274513109
Nikkaji number:J8.784J
Dehydroemetine
デヒドロエメチン
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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:
C29 H38 N2 O4
Molecular formula furigana:
C29-H38-N2-O4
Molecular weight:
478.633
InChI:
InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,24-25,30H,6-12,17H2,1-5H3/t24-,25+/m1/s1
InChI key:
XXLZPUYGHQWHRN-RPBOFIJWSA-N
SMILES:
CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc23)C[C@@H]2N(CCc3cc(OC)c(OC)cc23)C1
Systematic name (5):
(1′R,14α)-2,3-ジデヒドロ-6′,7′,10,11-テトラメトキシエメタン
2,3-ジデヒドロ-6′,7′,10,11-テトラメトキシエメタン
(11bS)-3-エチル-1,6,7,11b-テトラヒドロ-9,10-ジメトキシ-2-[[(1R)-1,2,3,4-テトラヒドロ-6,7-ジメトキシイソキノリン-1-イル]メチル]-4H-ベンゾ[a]キノリジン
(1R)-1-{[(11bS)-3-エチル-9,10-ジメトキシ-1H,4H,6H,7H,11bH-ピリド[2,1-a]イソキノリン-2-イル]メチル}-6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン
(1R)-1-{[(11bS)-3-ethyl-9,10-dimethoxy-1H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Other name (14):
メバジン
ダメチン
デヒドロエメチン
DHE
BT 436
Dametin
Mebadin
Ro 1-9334/19
Dehydroemetine
2-デヒドロエメチン
Ro-1-9334
2-Dehydroemetine
2,3-Didehydro-6′,7′,10,11-tetramethoxyemetan
(11bS)-3-Ethyl-1,6,7,11b-tetrahydro-9,10-dimethoxy-2-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline-1-yl]methyl]-4H-benzo[a]quinolizine
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CAS registry number:
4914-30-1
Regulation number (2):
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