头孢甲氧氰唑

头孢甲氧氰唑 基本信息
CAS号 56796-20-4 分子式 C15H17N7O5S3
分子量 471.53744 精确质量 　471.04533
PSA 　239.23000 LogP 　-0.39952
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等价的CAS号：

56796-20-4,82263-66-9
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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：
56796-20-4
3D弹球模型：
立即前往扯扯看
分子式：
C15H17N7O5S3
分子量：
471.53744
中文名称：
头孢甲氧氰唑
英文名称：
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-[(cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7S)-
中文别名：
头孢甲氧氰唑;
(6R-cis)-7-[[[(氰甲基)硫]乙酰]氨基]-7-甲氧基-3-[[(1-甲基-1H-四唑-5-基)硫]甲基]-8-氧代-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-羧酸;
头孢美唑酸;
头孢美唑
英文别名：
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-[(cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7S)-;
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7S)- (9CI);
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R-cis)-;
(6R,7S)-7-[[2-[(Cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
CS 1170;
Cefmetazole;
SKF 83088;
U 72791;
U 72791a
精确分子量/精确质量：
471.04533
极性分子表面积/PSA：
239.23000
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：
260-384-2
InChI：
InChI=1/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1

物化性质展开↓

密度：
1.75 g/cm3
熔点：
163-165ºC
折射率：
1.797
存储条件/存储方法：
库房低温通风干燥

安全信息展开↓

WGK_Germany：
2
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
安全说明：
26-36
RTECS号：
XI0372200
危险标志：
Xn

合成路线查看所有的合成路线

  • 52069-55-3

    2-(cyanomethylsulfanyl)acetyl chloride

  • +

  • 56610-72-1

    7beta-氨基-7alpha-甲氧基-3-(1-甲基-1H-四唑-5-硫甲基)-8-氧代-5-硫-1-杂氮双环[4.2.0]辛-2-烯-2-甲酸二苯基甲酯

  • →

  • 56796-20-4

    头孢甲氧氰唑

  • 52069-55-3

    2-(cyanomethylsulfanyl)acetyl chloride

  • +

  • 60638-56-4

    (6R)-7t-amino-7c-methoxy-3-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, benzyl-trimethyl-ammonium salt

  • →

  • 56796-20-4

    头孢甲氧氰唑

  • 53090-86-1

    7-amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid,diphenylmethyl ester

  • →

  • 56796-20-4

    头孢甲氧氰唑

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI0372000
CHEMICAL NAME :
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((cyanomethyl)thio)acetyl)amino)- 7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl) -8-oxo-, (6R-cis)-
CAS REGISTRY NUMBER :
56796-20-4
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C15-H17-N7-O5-S3
MOLECULAR WEIGHT :
471.57
WISWESSER LINE NOTATION :
T46 ANV ES GUTJ CO1 CMV1S1CN HVQ G1S- ET5NNNNJ A1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10233 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Skin and Appendages - hair
REFERENCE :
SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. (Sankyo K.K. Sogo Kenkyusho, 1-2-58 Hiro-machi, Shinagawa-ku, Tokyo 140, Japan) No.15- 1963- Volume(issue)/page/year: 31,49,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12190 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Skin and Appendages - hair
REFERENCE :
SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. (Sankyo K.K. Sogo Kenkyusho, 1-2-58 Hiro-machi, Shinagawa-ku, Tokyo 140, Japan) No.15- 1963- Volume(issue)/page/year: 31,49,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8690 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Skin and Appendages - hair
REFERENCE :
SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. (Sankyo K.K. Sogo Kenkyusho, 1-2-58 Hiro-machi, Shinagawa-ku, Tokyo 140, Japan) No.15- 1963- Volume(issue)/page/year: 31,49,1979 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
9 gm/kg
SEX/DURATION :
female 18-35 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
JZKEDZ Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. (Jikken Dobutsu Chuo Kenkyusho, 1433 Nogawa, Takatsu-ku, Kawasaki 211, Japan) V.1- 1975- Volume(issue)/page/year: 6,289,1980

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    7-amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid,diphenylmethyl ester

  • 52069-55-3

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  • 60638-56-4

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