那碎因[鹼]

那碎因[鹼] 基本信息
CAS号 131-28-2 分子式 C23H27NO8
分子量 445.46200 精确质量 　445.17400
PSA 　103.76000 LogP 　2.66880
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
131-28-2
3D弹球模型：
立即前往扯扯看
分子式：
C23H27NO8
分子量：
445.46200
中文名称：
那碎因[鹼]
英文名称：
6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
中文别名：
那碎因[鹼]
英文别名：
6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid;
6-{[6-(2-dimethylamino-ethyl)-4-methoxy-benzo[1,3]dioxol-5-yl]-acetyl}-2,3-dimethoxy-benzoic acid;
6-BOC-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE-2-CARBOXYLIC ACID;
1,6-NAPHTHYRIDINE-2,6(5H)-DICARBOXYLIC ACID,7,8-DIHYDRO-,6-(1,1-DIMETHYLETHYL) ESTER;
6-{[(1,1-dimethylethyl)oxy]carbonyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;
6-{[6-(2-Dimethylamino-aethyl)-4-methoxy-benzo[1,3]dioxol-5-yl]-acetyl}-2,3-dimethoxy-benzoesaeure;
6-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;
7,8-DIHYDRO-5H-[1,6]NAPHTHYRIDINE-2,6-DICARBOXYLIC ACID 6-TERT-BUTYL ESTER
精确分子量/精确质量：
445.17400
极性分子表面积/PSA：
103.76000
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：
The Key: DEXMFYZAHXMZNM-UHFFFAOYSA-N

物化性质展开↓

密度：
1.271 g/cm3
沸点：
599.3ºC at 760 mmHg
闪点：
316.3ºC
折射率：
1.578
蒸汽压：
3.26E-15mmHg at 25°C

合成路线查看所有的合成路线

  • 51606-51-0

    (-)-α-narcotine methiodide

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    ~76%

  • 131-28-2

    那碎因[鹼]

  • 77-78-1

    硫酸二甲酯

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  • 131-28-2

    那碎因[鹼]

  • 80-48-8

    对甲苯磺酸甲酯

  • +

  • 10421-76-8

    α-Narcotine

  • →

  • 131-28-2

    那碎因[鹼]

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YX5210000
CHEMICAL NAME :
o-Veratric acid, 6-((6-(2-(dimethylamino)ethyl)-2-methoxy-3,4-(methyle nedioxy)phenyl)acetyl )-
CAS REGISTRY NUMBER :
131-28-2
BEILSTEIN REFERENCE NO. :
0371009
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C23-H27-N-O8

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Behavioral - excitement
REFERENCE :
HDTU** "Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933 Volume(issue)/page/year: -,-,1933
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness Behavioral - muscle contraction or spasticity
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 233,550,1958
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2200 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness Behavioral - muscle contraction or spasticity
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 233,550,1958
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness Behavioral - muscle contraction or spasticity
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 233,550,1958
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness Behavioral - muscle contraction or spasticity
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 233,550,1958

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