制备方法

合成方法:

合成制备方法

合成方法：

用途简介

N-乙酰基-L-半胱氨酸(NAC)，它通过分解粘蛋白复合物、核酸，将痰中的脓性成分及其它粘液和粘液分泌物从粘稠变为稀薄而发挥强烈的粘液溶解作用。

用途

1.用作黏痰溶解药物。适用于大量黏痰阻塞所引起的呼吸阻塞。此外还可用于乙酰氨基酚中毒的解毒。因本品有特殊臭味，服用易引起恶心呕吐。对呼吸道有刺激作用，可引起支气管痉挛，一般与异丙肾上腺素等支气管扩张剂合用，同时配合吸痰器排痰。不宜与金属(如Fe、Cu)、橡胶、氧化剂等接触。不宜与抗生素类药物如青霉素、头胞菌素、四环素等并用，以免降低其抗菌作用。支气管哮喘者慎用。

海关代码：

2930909090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R36/37/38

安全说明：

S22-S24/25

RTECS号：

HA1660000

安全标志：

S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

CHEMICAL IDENTIFICATION

RTECS NUMBER :

HA1660000

CHEMICAL NAME :

Cysteine, N-acetyl-, L-

CAS REGISTRY NUMBER :

616-91-1

LAST UPDATED :

199701

DATA ITEMS CITED :

16

MOLECULAR FORMULA :

C5-H9-N-O3-S

MOLECULAR WEIGHT :

163.21

WISWESSER LINE NOTATION :

SH1YVQMV1 -L

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Multiple routes

SPECIES OBSERVED :

Human - child

DOSE/DURATION :

8480 mg/kg/3D-I

TOXIC EFFECTS :

Liver - liver function tests impaired

REFERENCE :

PEDIAU Pediatrics. (American Academy of Pediatrics, P.O. Box 1034, Evanston, IL 60204) V.1- 1948- Volume(issue)/page/year: 79,281,1987

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

5050 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1140 mg/kg

TOXIC EFFECTS :

Gastrointestinal - other changes

REFERENCE :

EJRDD2 European Journal of Respiratory Diseases. (Munksgaard International Pub., c/o Pub. Expediting Inc., 200 Meacham Ave., Elmont, NY 11003) V.61- 1980- Volume(issue)/page/year: 61(Suppl 111),45,1980

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

4400 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0192191

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

400 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3800 mg/kg

TOXIC EFFECTS :

Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes

REFERENCE :

JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 10,1172,1967

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

>1 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,479,1979

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

700 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,479,1979

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

700 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,479,1979 *** REVIEWS *** TOXICOLOGY REVIEW CTOXAO Clinical Toxicology. (New York, NY) V.1-18, 1968-81. For publisher information, see JTCTDW. Volume(issue)/page/year: 12,601,1978 TOXICOLOGY REVIEW PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,479,1979 TOXICOLOGY REVIEW EJRDD2 European Journal of Respiratory Diseases. (Munksgaard International Pub., c/o Pub. Expediting Inc., 200 Meacham Ave., Elmont, NY 11003) V.61- 1980- Volume(issue)/page/year: 61(Suppl 111),45,1980 TOXICOLOGY REVIEW PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,479,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81688 No. of Facilities: 616 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 4525 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81688 No. of Facilities: 1677 (estimated) No. of Industries: 1 No. of Occupations: 14 No. of Employees: 31203 (estimated) No. of Female Employees: 21201 (estimated)

生态数据：

三、生态学数据：

1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

中国海关编码：2930909090

概述：

2930909090. 其他有机硫化合物. 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:30.0%

申报要素：

品名, 成分含量, 用途

摘要/Summary：

2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构数据

 

五、分子性质数据：

1、   摩尔折射率：38.25

2、   摩尔体积（cm³/mol）：126.0

3、   等张比容（90.2K）：335.1

4、   表面张力（dyne/cm）：49.9

5、 极化率（10^-24cm³）：15.16

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:3

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:2

6.拓扑分子极性表面积67.4

7.重原子数量:10

8.表面电荷:0

9.复杂度:148

10.同位素原子数量:0

11.确定原子立构中心数量:1

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:1

• 
  N-乙酰-L-半胱氨酸红外图谱(IR1)
• 
  N-乙酰-L-半胱氨酸红外图谱(IR2)
• 
  N-乙酰-L-半胱氨酸质谱(MS)
• 
  N-乙酰-L-半胱氨酸核磁图(¹HNMR)