制备方法

间二甲氨基酚（见15070）与二甲氨基甲酰氯经酯化得到新斯的明盐基，再用溴甲烷进行成季铵盐反应制得溴新斯的明。如将新斯的明盐基与硫酸二甲酯进行成季铵盐反应，则制得新斯的明甲基硫酸盐（[51-60-5]）。

合成制备方法

间二甲氨基酚（见15070）与二甲氨基甲酰氯经酯化得到新斯的明盐基，再用溴甲烷进行成季铵盐反应制得溴新斯的明。如将新斯的明盐基与硫酸二甲酯进行成季铵盐反应，则制得新斯的明甲基硫酸盐（[51-60-5]）。

用途简介

该品具有可逆性胆碱酯酶抑制作用，致使乙酰胆碱不致酶解，长时间存在于胆碱能神经末梢，有兴奋平滑机、骨骼肌的作用；对骨骼肌的作用较强，缩瞳力较小；多用于重症肌无力、手术后腹胀与尿潴留，亦可用于室上性阵发性心动过速，以及筒箭毒碱等过量时的解毒。新斯的明甲基硫酸盐供注射用。

用途

该品具有可逆性胆碱酯酶抑制作用，致使乙酰胆碱不致酶解，长时间存在于胆碱能神经末梢，有兴奋平滑机、骨骼肌的作用；对骨骼肌的作用较强，缩瞳力较小；多用于重症肌无力、手术后腹胀与尿潴留，亦可用于室上性阵发性心动过速，以及筒箭毒碱等过量时的解毒。新斯的明甲基硫酸盐供注射用。

包装等级：

II

风险类别：

6.1(a)

海关代码：

2924299090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R25;R36/37/38;R42/43

安全说明：

22-26-36/37/39-45-37/39-28A

RTECS号：

BR3150000

安全标志：

S22:不要吸入粉尘。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:

危险标志：

T: Toxic;T+: Very toxic;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

BR3150000

CHEMICAL NAME :

Ammonium, (m-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate

CAS REGISTRY NUMBER :

114-80-7

LAST UPDATED :

199710

DATA ITEMS CITED :

14

MOLECULAR FORMULA :

C12-H19-N2-O2.Br

MOLECULAR WEIGHT :

303.24

WISWESSER LINE NOTATION :

1N1&VOR CK1&1&1 &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 :

51 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: 120,511,1965

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

835 ug/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: 136,20,1962

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

370 ug/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - chromodacryorrhea Gastrointestinal - hypermotility, diarrhea Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

REFERENCE :

JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 39,701,1950

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

165 ug/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - chromodacryorrhea Gastrointestinal - hypermotility, diarrhea Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

REFERENCE :

JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 39,701,1950

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

7 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: 120,511,1965

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

610 ug/kg

TOXIC EFFECTS :

Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

REFERENCE :

JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 57,172,1968

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

420 ug/kg

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - respiratory depression

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: 99,16,1950

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

130 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 16,164,1982

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

380 ug/kg

TOXIC EFFECTS :

Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

REFERENCE :

PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 3,508,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

7449 ug/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: 6,352,1982

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

171 ug/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: 6,352,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5641 No. of Facilities: 17 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 303 (estimated) No. of Female Employees: 166 (estimated)

毒理学数据：

1、    急性毒性：大鼠经口LD5O：51mg/kg

              大鼠经腹腔LDLO：835ug/kg

              大鼠经皮下LD5O：370ug/kg

              大鼠经静脉LD5O：165ug/kg

小鼠经口LD5O：7mg/kg

小鼠经腹腔LD5O：610ug/kg

小鼠经皮下LD5O：130ug/kg

猫经口LD5O：7449ug/kg

              猫经静脉LD5O：171ug/kg

中国海关编码：2924299090

概述：

2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0%

申报要素：

品名, 成分含量, 用途, 包装

摘要/Summary：

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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:3

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积29.5

7.重原子数量:17

8.表面电荷:0

9.复杂度:246

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

• 
  溴新斯的明红外图谱(IR1)
• 
  溴新斯的明红外图谱(IR2)
• 
  溴新斯的明质谱(MS)
• 
  溴新斯的明核磁图(¹³CNMR)
• 
  溴新斯的明Raman光谱
• 
  溴新斯的明核磁图(¹HNMR)