溴甲胺太林

溴甲胺太林 基本信息
CAS号 53-46-3 分子式 C21H26BrNO3
分子量 420.34000 精确质量 　419.11000
PSA 　35.53000 LogP 　0.95780
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目录
基本信息 安全信息 合成路线 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
53-46-3
3D弹球模型：
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分子式：
C21H26BrNO3
分子量：
420.34000
中文名称：
溴甲胺太林
英文名称：
METHANTHELINE BROMIDE (200 MG)
中文别名：
溴甲胺太林;
胃膜素 胃粘膜素
英文别名：
METHANTHELINE BROMIDE (200 MG);
asabaine;
Methanthelinium bromide;
mtb51;
diethyl-methyl-[2-(xanthene-9-carbonyloxy)-ethyl]-ammonium,bromide;
sc2910;
ulcine;
N,N-diethyl-N-methyl-2-[(9H-xanthen-9-ylcarbonyl)oxy]-ethanaminium;
methanthelinium bromide;
banthin;
Diaethyl-methyl-[2-(xanthen-9-carbonyloxy)-aethyl]-ammonium,Bromid;
avagal;
Ulcine Bromide;
methantheline bromide;
doladene;
metaxan;
banthine;
vagamin
精确分子量/精确质量：
419.11000
极性分子表面积/PSA：
35.53000
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。
EINECS：
200-176-0
InChI：
The Key: PQMWYJDJHJQZDE-UHFFFAOYSA-M

安全信息展开↓

海关代码：
2932999099

合成路线查看所有的合成路线

  • 82-07-5

    呫吨-9-甲酸

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  • 53-46-3

    溴甲胺太林

  • 74-83-9

    溴甲烷

  • +

  • 24539-72-8

    9-xanthene carboxylic acid

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  • 53-46-3

    溴甲胺太林

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BP7632500
CHEMICAL NAME :
Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, xanthene-9-carboxylate
CAS REGISTRY NUMBER :
53-46-3
LAST UPDATED :
199712
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C21-H26-N-O3.Br
MOLECULAR WEIGHT :
420.39
WISWESSER LINE NOTATION :
T C666 BO IHJ IVO2K2&2&1 &Q &E

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 78,708,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4800 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 1,391,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
460 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,357,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
46 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 106,141,1952
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 8,107,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4300 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 105,221,1956
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
460 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,54,1952
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
23 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 78,576,1951 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
7935 mg/kg/95D-I
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Kidney, Ureter, Bladder - interstitial nephritis Related to Chronic Data - death
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,54,1952

海关数据查看详细

中国海关编码：2932999099

概述：
2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积:35.5

7.重原子数量:26

8.表面电荷:0

9.复杂度:426

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

上下游相关产品

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  • 74-83-9

    溴甲烷

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    9-xanthene carboxylic acid

  • 82-07-5

    呫吨-9-甲酸

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