5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-,(6R,7R)-
- 中文别名：头孢尼西
- 中文释义：头孢尼西;羟苄磺唑头菌素;[6R-[6Α,7Β(R^^)]]-7-[(2-羟基-2-苯基乙酰基)氨基]-3-[(1-磺甲基-LH_四唑-5-基)硫甲基]-8-氧代-5-硫杂-1-氮杂二环[4.2.0]-2-辛烯-2-羧酸;(6R,7R)-7-[(2R)-2-羟基苯乙酰胺]-8-氧代-3-[[[1-磺酸甲基-1H-四唑-5-基]硫代]甲基]-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-羧酸
- 英文别名：5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, (6R,7R)-;
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(hydroxyphenylacetyl)amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, [6R-[6α,7β(R*)]]-;
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, (6R,7R)- (9CI);
(6R,7R)-7-[[(2R)-2-Hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
Cefonicid;
Monicid
- CAS No.：61270-58-4
- 分子式：C18H18N6O8S3
- 分子量：542.57
- 精确分子量：542.03483
- PSA：264 A2
- InChI：InChI=1/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1
- 分子结构式：
物化性质
- 密度：
- 1.92±0.1 g/cm3
- 水溶解性：
- Sparingly Soluble (0.15 g/L)
- 折射率：
- 1.852
- 其它信息：
1.溶解性：溶于乙酸乙酯。
安全信息
- 密度：
- 1.92±0.1 g/cm3
- 水溶解性：
- Sparingly Soluble (0.15 g/L)
- 折射率：
- 1.852
- 其它信息：
1.溶解性：溶于乙酸乙酯。
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XI0383750
- CHEMICAL NAME :
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((hydroxyphenylacetyl)amino)-8-oxo-3-(((1-sulfometh yl)-1H-tetrazol-5-yl) thio)methyl)-, (6R-(6-alpha,7-beta(R*)))-
- CAS REGISTRY NUMBER :
- 61270-58-4
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C18-H18-N6-O8-S3
- MOLECULAR WEIGHT :
- 542.60
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 40 mg/kg/2D-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - hematuria Blood - hemorrhage Blood - tumors
- REFERENCE :
- AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 123,472,1995 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 83 gm/kg/13W-I
- TOXIC EFFECTS :
- Blood - normocytic anemia Blood - thrombocytopenia
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 90,143,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5274 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 307 (estimated) No. of Female Employees: 251 (estimated)
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：125.92
2、 摩尔体积（cm3/mol）：281.3
3、 等张比容（90.2K）：891.5
4、 表面张力（dyne/cm）：100.9
5、 极化率（10-24cm3）：49.91
