青霉素V

青霉素V 基本信息
CAS号 87-08-1 分子式 C16H18N2O5S
分子量 350.39000 精确质量 　350.09400
PSA 　121.24000 LogP 　1.02590
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等价的CAS号：

87-08-1,6153-24-8,6153-25-9,39539-54-3,41400-52-6,145920-47-4
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目录
基本信息 物化性质 安全信息 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
87-08-1
3D弹球模型：
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分子式：
C16H18N2O5S
分子量：
350.39000
中文名称：
青霉素V
英文名称：
phenoxymethylpenicillin
中文别名：
青霉素V;
苯氧甲基青霉素;
青黴素V
英文别名：
phenoxymethylpenicillin;
Phenomycilline;
Fenospen;
Oracillin;
Penicillin phenoxymethyl;
Phenocillin;
Phenoxymethylpenicillin;
penicillin VK;
6-phenoxyacetamidopenicillanic acid;
Phenopenicillin;
V-Cillin;
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;
Beromycin;
penicillin-V
精确分子量/精确质量：
350.09400
极性分子表面积/PSA：
121.24000
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：
201-722-0
InChI：
InChI=1/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-

物化性质展开↓

外观与性状：
白色至灰白色结晶粉末
熔点：
120 - 128ºC

安全信息展开↓

海关代码：
3003101300
危险类别码：
R42/43

合成路线查看所有的合成路线

  • 65538-78-5

    2-bromoethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

  • →

    ~80%

  • 87-08-1

    青霉素V

  • 72-18-4

    L-缬氨酸

  • +

  • 122-59-8

    苯氧乙酸

  • →

  • 87-08-1

    青霉素V

  • 1203-85-6

    sodium,(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

  • +

  • 701-99-5

    苯氧乙酰氯

  • →

  • 87-08-1

    青霉素V

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RY4025000
CHEMICAL NAME :
Penicillanic acid, 6-phenoxyacetamido-
CAS REGISTRY NUMBER :
87-08-1
BEILSTEIN REFERENCE NO. :
0096259
LAST UPDATED :
199612
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C16-H18-N2-O5-S
MOLECULAR WEIGHT :
350.42
WISWESSER LINE NOTATION :
T45 ANV ESTJ CMV1OR& F1 F1 GVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
10 mg/kg/2D
TOXIC EFFECTS :
Liver - liver function tests impaired Skin and Appendages - dermatitis, other (after systemic exposure) Nutritional and Gross Metabolic - body temperature increase
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2220 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1775 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1600 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6578 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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1351 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 :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 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 :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1775 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
822 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1096 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Rodent - mouse Ascites tumor
DOSE/DURATION :
200 ug/L
REFERENCE :
NEOLA4 Neoplasma. (Karger-Libri, P.O. Box, CH-4009 Basel, Switzerland) V.4- 1957- Volume(issue)/page/year: 22,105,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83957 No. of Facilities: 61 (estimated) No. of Industries: 2 No. of Occupations: 6 No. of Employees: 2874 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83957 No. of Facilities: 114 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 1964 (estimated) No. of Female Employees: 959 (estimated)

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