盐酸氯普鲁卡因

外观与性状：

白色结晶粉末

熔点：

176ºC

沸点：

402.6ºC at 760 mmHg

闪点：

197.3°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DG1575200

CHEMICAL NAME :

Benzoic acid, 4-amino-2-chloro-, 2-(diethylamino)ethyl ester, hydrochloride

CAS REGISTRY NUMBER :

3858-89-7

LAST UPDATED :

199504

DATA ITEMS CITED :

5

MOLECULAR FORMULA :

C13-H19-Cl-N2-O2.Cl-H

MOLECULAR WEIGHT :

307.25

WISWESSER LINE NOTATION :

ZR CG DVO2N2&2 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraspinal

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

9677 ug/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - coma Vascular - BP lowering not characterized in autonomic section

REFERENCE :

AACRAT Anesthesia and Analgesia (New York). (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.36- 1957- Volume(issue)/page/year: 66,677,1987

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

266 mg/kg

TOXIC EFFECTS :

Peripheral Nerve and Sensation - local anesthetic Behavioral - convulsions or effect on seizure threshold

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 54,501,1980

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

700 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 75,215,1955

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

65 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 3,525,1961 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5336 No. of Facilities: 9 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 166 (estimated) No. of Female Employees: 105 (estimated)

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:2

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:3

6.拓扑分子极性表面积:55.6

7.重原子数量:19

8.表面电荷:0

9.复杂度:259

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