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91832-40-5生产厂家

91832-40-5价格

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91832-40-5

91832-40-5结构式
91832-40-5结构式

化源商城直购

中文名 头孢地尼
英文名 cefdinir
中文别名 [6R-[6Α,7Β(Z)]]-7-[[(2-氨基-4-噻唑基)(羟基亚氨)乙酰基]氨基]-3-乙烯基-8-氧代-5-硫杂-1-氮杂二环[4.2.0]-2-辛烯-2-羧酸
(6R,7R)-7-[(Z)-2-(2-氨基-4-噻唑基)-2-羟基亚胺基乙酰氨基]-8-氧代-3-乙烯基-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-羧酸
英文别名 (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Omnicef
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)-1-oxoethyl]amino]-3-ethenyl-8-oxo-, (6R,7R)-
Cefzon
(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Novacef
Cefdinir
FK-482
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)-1-oxoethyl]amino]-3-ethenyl-8-oxo-, (6R,7R)-
cefdinyl
CFDN
CI 983
MFCD00865030
[6R-[6a,7b(Z)]]-7-[[(2-Amino-4-thiazolyl)(hydroxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Omicef
Omnice
EINECS 643-088-1
密度 1.9±0.1 g/cm3
熔点 >180°C dec.
分子式 C14H13N5O5S2
分子量 395.414
精确质量 395.035797
PSA 211.75000
LogP -0.63
外观性状 白色粉末
折射率 1.862
储存条件 Room temp
水溶解性 水溶性：不溶；不溶：乙醇,乙醚
分子结构

1、 摩尔折射率：90.94

2、 摩尔体积（cm3/mol）：210.2

3、 等张比容（90.2K）：640.0

4、 表面张力（dyne/cm）：85.8

5、 极化率（10-24cm3）：36.05
计算化学

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:4

3.氢键受体数量:10

4.可旋转化学键数量:5

5.互变异构体数量:28

6.拓扑分子极性表面积212

7.重原子数量:26

8.表面电荷:0

9.复杂度:739

10.同位素原子数量:0

11.确定原子立构中心数量:2

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:1

14.不确定化学键立构中心数量:0

15.共价键单元数量:1
更多

1.性状：白色至微黄色结晶性粉末，无臭或略臭

2熔点（分解，ºC）：170

3.溶解性：不溶于乙醇、乙醚或水。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI0367250
CHEMICAL NAME :
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(hydroxyimino acetyl)amino)-3-ethenyl-8-oxo-, (6R-(6-alpha,7-beta(Z)))-
CAS REGISTRY NUMBER :
91832-40-5
LAST UPDATED :
199806
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C14-H13-N5-O5-S2
MOLECULAR WEIGHT :
395.44

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 23,93,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 23,93,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 23,93,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 23,93,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 23,93,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 23,93,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 23,93,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 23,93,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>1 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: -,667,1995 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
18880 mg/kg
SEX/DURATION :
female 17 day(s) pre-mating - 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 23,5833,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1100 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 23,5833,1989

危害码 (欧洲) Xi
危险品运输编码 NONH for all modes of transport
RTECS号 XI0367250
海关编码 2941905990

以7-ACA为原料，对7位氨基和2位羧基保护后，再与三苯基磷反应得磷化物，它在碱性条件下与甲醛进行Wittig反应得3位的乙烯基衍生物(I)。用盐酸处理使7位的氨基游离而得化合物(Ⅱ)。在N-三甲基硅基乙酰胺存在下，化合物(Ⅱ)和4-溴乙酰乙酰溴在乙酸乙酯中，于-10℃下反应1h，得酰化产物(Ⅲ)，收率88％。化合物(Ⅲ)在二氯甲烷和乙酸中，用亚硝酸钠水溶液在-5℃亚硝化30min，再加入尿素破坏过量的亚硝酸钠，得到定量收率的羟胺化合物(Ⅳ)。化合物(Ⅳ)在N，N-二甲基乙酰胺中，和硫脲于5℃反应1h，环合得到化合物(V)。粗品化合物(V)在苯甲醚中，和三氟乙酸在5℃下反应1h，然后用水重结晶，即得头孢地尼.

91832-40-5 preparation

91832-40-5 preparation

海关编码 2941905990

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