青霉素

密度：

1.42g/cm3

沸点：

663.3ºC at 760 mmHg

闪点：

355ºC

折射率：

1.655

存储条件/存储方法：

通风低温干燥

海关代码：

32041900

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R42/43

安全说明：

S36/37

RTECS号：

XH9700000

安全标志：

:

危险标志：

Xn

CHEMICAL IDENTIFICATION

RTECS NUMBER :

XH9400000

CHEMICAL NAME :

4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenylacetamido)-

CAS REGISTRY NUMBER :

61-33-6

BEILSTEIN REFERENCE NO. :

0044740

LAST UPDATED :

199612

DATA ITEMS CITED :

24

MOLECULAR FORMULA :

C16-H18-N2-O4-S

MOLECULAR WEIGHT :

334.42

WISWESSER LINE NOTATION :

T45 ANV ESTJ CMV1R& F F GVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Parenteral

SPECIES OBSERVED :

Human - child

DOSE/DURATION :

15000 units/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Ear) - changes in cochlear structure or function Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

8 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

9 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

>5 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

329 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intracerebral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5700 ug/kg

TOXIC EFFECTS :

Brain and Coverings - other degenerative changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

7800 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intracerebral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

1118 ug/kg

TOXIC EFFECTS :

Brain and Coverings - other degenerative changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

4940 ug/kg

TOXIC EFFECTS :

Brain and Coverings - other degenerative changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intracerebral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

653 ug/kg

TOXIC EFFECTS :

Brain and Coverings - other degenerative changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

38 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - hamster

DOSE/DURATION :

24 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - hamster

DOSE/DURATION :

96 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

104 ku/kg/4D-I

TOXIC EFFECTS :

Blood - changes in other cell count (unspecified) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

750 units/kg/5D-I

TOXIC EFFECTS :

Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Immunological Including Allergic - decrease in humoral immune response Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2600 mg/kg/65W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

MUTATION DATA

TYPE OF TEST :

Mutation test systems - not otherwise specified

TEST SYSTEM :

Microorganism - not otherwise specified

DOSE/DURATION :

20 ug/L

REFERENCE :

AMACCQ Antimicrobial Agents and Chemotherapy. (American Soc. for Microbiology, 1913 I St., NW, Washington, DC 20006) V.1- 1972- Volume(issue)/page/year: 17,572,1980 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.1 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3134 No. of Facilities: 151 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 2695 (estimated) No. of Female Employees: 1750 (estimated)

分子结构数据

1、  摩尔折射率：86.34

2、  摩尔体积（cm³/mol）：235.1

3、  等张比容（90.2K）：675.0

4、  表面张力（dyne/cm）：67.8

5、  极化率（10-24cm3）：34.22

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:5

4.可旋转化学键数量:4

5.互变异构体数量:4

6.拓扑分子极性表面积112

7.重原子数量:23

8.表面电荷:0

9.复杂度:530

10.同位素原子数量:0

11.确定原子立构中心数量:3

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