苯唑西林

苯唑西林 基本信息
CAS号 66-79-5 分子式 C19H19N3O5S
分子量 401.43600 精确质量  401.10500
PSA  138.04000 LogP  2.22410

基本信息 展开↓

CAS号:
66-79-5
3D弹球模型:
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分子式:
C19H19N3O5S
分子量:
401.43600
中文名称:
苯唑西林
英文名称:
oxacillin
中文别名:
苯唑西林;
新青霉素II;
苯甲异恶唑青霉素
英文别名:
oxacillin;
OXACILLIN;
[2S-(2,5,6)]-3,3-dimethyl-6-(methyl-3-phenylisoxaz-4-ole-carboxamide-7-oxy-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;
Oxazina;
(2S,5R,6R)-3,3-Dimethyl-6-[(5-methyl-3-phenylisoxazol-4-yl)carbonylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;
Penstapho;
(5-methyl-3-phenyl-isoxazol-4-yl)-penicillin;
Bactocil;
oxazocillin
精确分子量/精确质量:
401.10500
极性分子表面积/PSA:
138.04000
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:
200-635-5
InChI:
The Key: UWYHMGVUTGAWSP-JKIFEVAISA-N

生产制备方法及用途展开↓

制备方法


青霉素类原料药。

用途简介


物化性质展开↓

外观与性状:
白色至灰白色自由流动结晶粉末
熔点:
188ºC

合成路线查看所有的合成路线

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH9000000
CHEMICAL NAME :
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(5-methyl-3-phenyl-4- isoxazolecarboxamide)-7-oxo-
CAS REGISTRY NUMBER :
66-79-5
LAST UPDATED :
199606
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C19-H19-N3-O5-S
MOLECULAR WEIGHT :
401.47
WISWESSER LINE NOTATION :
T45 ANV ESTJ F1 F1 GVQ CMV- DT5NOJ C1 FR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
200 mg/kg/10D-I
TOXIC EFFECTS :
Gastrointestinal - other changes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
3800 mg/kg/19D-I
TOXIC EFFECTS :
Blood - agranulocytosis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
2550 mg/kg/17D-I
TOXIC EFFECTS :
Blood - agranulocytosis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
3800 mg/kg/19D-I
TOXIC EFFECTS :
Blood - agranulocytosis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
5560 mg/kg/20D-I
TOXIC EFFECTS :
Blood - agranulocytosis
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 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 :
6500 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 :
1490 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 :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
28 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 - guinea pig
DOSE/DURATION :
120 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Microorganism - not otherwise specified
DOSE/DURATION :
4 mg/L
REFERENCE :
JOBAAY Journal of Bacteriology. (American Soc. for Microbiology, 1913 I St., NW, Washington, DC 20006) V.1- 1916- Volume(issue)/page/year: 170,1831,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3709 No. of Facilities: 231 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 11502 (estimated) No. of Female Employees: 9533 (estimated)

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