甲氧西林钠

甲氧西林钠 基本信息
CAS号 132-92-3 分子式 C17H19N2NaO6S
分子量 402.39700 精确质量  402.08600
PSA  133.30000 LogP  -0.05680

基本信息 展开↓

CAS号:
132-92-3
3D弹球模型:
立即前往扯扯看
分子式:
C17H19N2NaO6S
分子量:
402.39700
中文名称:
甲氧西林钠
英文名称:
methicillin sodium
中文别名:
甲氧西林钠;
Sodium (2,6-dimethoxyphenyl)penicillin Sodium methicillin
英文别名:
methicillin sodium;
(2S,5R,6R)-6-[(2,6-Dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid sodium salt;
sodium 6-(2,6-dimethoxybenzamido)penicillanate;
Methicillin Sodium;
meticillin sodium;
Sodium (2,6-dimethoxyphenyl)penicillin,Sodium methicillin;
Methicillin sodium salt
精确分子量/精确质量:
402.08600
极性分子表面积/PSA:
133.30000
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。
贝尔斯坦号/MDL:
MFCD07787409
EINECS:
205-083-9
InChI:
The Key: MGFZNWDWOKASQZ-UMLIZJHQSA-M

物化性质展开↓

沸点:
640ºC at 760 mmHg
闪点:
340.9ºC
蒸汽压:
2.94E-17mmHg at 25°C

安全信息展开↓

危险类别码:
36/37/38-42/43
安全说明:
26-36
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xn: Harmful;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH8950000
CHEMICAL NAME :
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,6-dimethoxybenzamido)-3,3-dimethyl- 7-oxo-, monosodium salt
CAS REGISTRY NUMBER :
132-92-3
LAST UPDATED :
199709
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C17-H19-N2-O6-S.Na
MOLECULAR WEIGHT :
402.43
WISWESSER LINE NOTATION :
T45 ANV ESTJ CMVR BO1 FO1& F1 F1 GVO &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
600 mg/kg/3D
TOXIC EFFECTS :
Liver - other changes Blood - leukopenia Blood - eosinophilia
REFERENCE :
AJDCAI American Journal of Diseases of Children. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1-80(3), 1911-50; V.100- 1960- Volume(issue)/page/year: 135,52,1981
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 17,70,1961
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 17,70,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/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: 6,826,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AACHAX Antimicrobial Agents and Chemotherapy (1961-70). (Ann Arbor, MI) 1961-70. For publisher information, see AMACCQ. Volume(issue)/page/year: -,619,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/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: 6,826,1982
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4 gm/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Cardiac - other changes Lungs, Thorax, or Respiration - other changes
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 17,70,1961 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4186 No. of Facilities: 272 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 11353 (estimated) No. of Female Employees: 7943 (estimated)

分子结构与计算化学数据展开↓

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:1

3.氢键受体数量:7

4.可旋转化学键数量:5

5.互变异构体数量:4

6.拓扑分子极性表面积133

7.重原子数量:27

8.表面电荷:0

9.复杂度:606

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:2

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