O-甲基蝙蝠葛碱

O-甲基蝙蝠葛碱 基本信息
CAS号 2202-17-7 分子式 C39H46N2O6
分子量 638.79200 精确质量  638.33600
PSA  61.86000 LogP  6.94110

等价的CAS号:

2202-17-7,7777-01-7,13565-64-5,21124-22-1,49648-16-0,59654-05-6

基本信息 展开↓

CAS号:
2202-17-7
3D弹球模型:
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分子式:
C39H46N2O6
分子量:
638.79200
中文名称:
O-甲基蝙蝠葛碱
英文名称:
(1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
中文别名:
O-甲基蝙蝠葛碱;
6-Bromo-2-oxo-2H-chromene-3-carboxylic acid ethyl ester;
ethyl 6-bromo-2-oxo-2H-chromene-3-carboxylate;
6-Bromocoumarin-3-carboxylic acid;
ethyl 2,4-dimethyl-5-formylpyrrole-3-carboxylate;
Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;
2,4-Dimethyl-1H-Pyrrole-3-carboxylic acid ethyl ester;
5-(4-Nitrophenyl)-1H-Pyrazol-3-Amine;
Ethyl 3,5-dimethylpyrrole-2-carboxylate;
methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate;
methyl (2beta,3beta,4beta,5alpha,19alpha)-4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate;
methyl (2beta,4beta,5alpha,12beta,19alpha)-4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-dide;
Vindoline;
ether,isobutyl(2-naphthyl);
fragarol;
isobutylbeta-naphthylether;
nerolinfragarol;
2-isobutyloxynaphthalene;
naphthalene, 2-(2-methylpropoxy)-;
2-(2-methylpropoxy)-4a,8a-dihydronaphthalene;
isobutyl-[2]naphthyl ether;
Isobutyl-[2]naphthyl-aether;
2-Isobutyloxy-naphthalin;
Isobutyl-β
英文别名:
(1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;
O-methyldauricine;
O,O-Dimethyl-cuspidalin;
O,O-Dimethyldauricinoline;
Dauricine,O-methyl-(6CI,7CI,8CI);
O-Methyl-dauricinine;
O-Methyl-dauricin;
(1'R)-6,7,12,6'-Tetramethoxy-2,2',18'-trimethyl-8,18'-seco-berbaman;
O,O-Dimethyl-daurinolin;
Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-(2-methoxy-5-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-2-methyl-,(R-(R*,R*));
O,O-Dimethylcuspidaline;
(1'R)-6,7,12,6'-tetramethoxy-2,2',18'-trimethyl-8,18'-seco-berbamane
精确分子量/精确质量:
638.33600
极性分子表面积/PSA:
61.86000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33-/m1/s1

物化性质展开↓

密度:
1.156g/cm3
沸点:
717.6ºC at 760mmHg
闪点:
173.2ºC
折射率:
1.585
蒸汽压:
1.91E-20mmHg at 25°C

合成路线查看所有的合成路线

  • 186581-53-3

    重氮甲烷

  • 2202-17-7

    O-甲基蝙蝠葛碱

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX5018450
CHEMICAL NAME :
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-(2-methoxy-5-( (1,2,3,4-tetrahydro-6 ,7- dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phe nyl)methyl)-2-methyl-, (R-(R*,R*))-
CAS REGISTRY NUMBER :
2202-17-7
LAST UPDATED :
199112
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C39-H46-N2-O6
MOLECULAR WEIGHT :
638.87

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>125 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 24,2413,1976

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  • 186581-53-3

    重氮甲烷

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