808-71-9 (喷沙西林氢碘酸盐,Benzylpenicillin Diethylaminoethyl Ester Hydroiodide)

CAS号:
808-71-9
中文名称:
喷沙西林氢碘酸盐
英文名称:
Benzylpenicillin Diethylaminoethyl Ester Hydroiodide
分子式:
C22H32IN3O4S
分子量:
561.476656913757

喷沙西林氢碘酸盐(808-71-9)名称与标识符

名称

中文别名:
喷沙西林氢碘酸盐;diethyl(2-(6-(2-phenylacetamido)penicillanoyloxy)ethyl)ammonium iodide 喷沙西林氢碘酸盐;Penethacillin酸盐(Penethamate碘化物);喷沙西林氢碘酸盐标准品;青霉素G二乙氨乙酯氢碘酸盐;
英文别名:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-, 2-(diethylamino)ethyl ester,hydriodide (1:1), (2S,5R,6R)-;Benzylpenicillin Diethylaminoethyl Ester Hydroiodide;benzylpenicillin β-diethylaminoethyl ester hydroiodide;Penethacillin hydriodide;PENETHAMATE HYDRIODIDE;Penicillin G 2-(diethylamino)ethyl ester hydriodide;(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-(diethylamino)ethyl ester hydriodide;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 2-(diethylamino)ethyl ester, monohydriodide (8CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, 2-(diethylamino)ethyl ester, monohydriodide (9CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2α,5α,6β)]-, 2-(diethylamino)ethyl ester, monohydriodide (ZCI);Penicillin G, 2-(diethylamino)ethyl ester, hydriodide (6CI);Penicillin, 2-(diethylamino)ethyl ester, hydriodide (7CI);Alivin;Benzylpenicillin β-diethylaminoethyl ester hydriodide;Bronchocillin;Bronchopen;Broncopen;Deripen;Diethylaminoethyl ester penicillin hydriodide;Eficillin;Ephicillin hydriodide;Estopen;Leocillin;Mamyzin;Neo-Penil;Penethacillin;Penethecillin;Penicillin G diethylaminoethyl ester hydriodide;Pulmaxil N;Pulmo 500;β-Diethylaminoethyl benzylpenicillinate hydriodide;GA14AS9QOK;AKOS030528623;Q27278988;Penicillin, 2-(diethylamino)ethyl ester, hydriodide;808-71-9;PENETHAMATE HYDRIODIDE [MI];CHEMBL2105292;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2alpha,5alpha,6beta))-, 2-(diethylamino)ethyl ester, monohydriodide;Penethamate (hydriodide);Diethyl(2-(6-(2-phenylacetamido)penicillanoyloxy)ethyl)ammonium iodide;PENETHAMATE HYDRIODIDE (MART.);ES-2025;UNII-GA14AS9QOK;beta-Diethylaminoethyl benzylpenicillinate hydriodide;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2S,5R,6R)-, 2-(diethylamino)ethyl ester, monohydriodide;HYDROGEN 2-(DIETHYLAMINO)ETHYL (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENYLACETAMIDO)-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE IODIDE;Neopenil;Penicillin G, 2-(diethylamino)ethyl ester, hydriodide;PENETHAMATE HYDRIODIDE [WHO-DD];Mamyzin (veterinary);XWRCFDRXQPRCCO-FLQNVMKHSA-N;PENETHAMATE HYDRIODIDE [MART.];DIETHYLAMINOETHYL ESTER PENICILLIN G HYDRIODIDE;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 2-(diethylamino)ethyl ester, monohydriodide;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S-(2alpha,5alpha,6beta))-, 2-(diethylamino)ethyl ester, monohydriodide;DTXCID401428487;Benzylpenicillin beta-diethylaminoethyl ester hydriodide;2-(diethylamino)ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydroiodide;Penethamate hydriodide (BAN);DTXSID701001537;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-(2S,5R,6R)-, 2-(diethylamino)ethyl ester, monohydriodide;Mamyzin [veterinary] (TN);4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, 2-(diethylamino)ethyl ester, monohydriodide;EINECS 212-367-6;SCHEMBL34137;2-Diethylaminoethyl (6R)-6-(2-phenylacetamido)penicillanate hydriodide;

标识符

InChIKey:
XWRCFDRXQPRCCO-FLQNVMKHSA-N
Inchi:
1S/C22H31N3O4S.HI/c1-5-24(6-2)12-13-29-21(28)18-22(3,4)30-20-17(19(27)25(18)20)23-16(26)14-15-10-8-7-9-11-15;/h7-11,17-18,20H,5-6,12-14H2,1-4H3,(H,23,26);1H/t17-,18+,20-;/m1./s1
SMILES:
C([C@H]1C(C)(C)S[C@@H]2[C@@H](C(N12)=O)NC(=O)CC1C=CC=CC=1)(=O)OCCN(CC)CC.I

喷沙西林氢碘酸盐(808-71-9)物化性质

实验特性

  • LogP : 2.98820
  • PSA : 104.25000
  • 沸点 : 644.1°C at 760 mmHg
  • 熔点 : 178-179 ºC
  • 闪点 : 343.3°C

计算特性

  • 精确分子量 : 561.11600
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 10
  • 同位素质量 : 561.116
  • 重原子数量 : 31
  • 复杂度 : 646
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 拓扑分子极性表面积 : 104A^2

喷沙西林氢碘酸盐(808-71-9)国际标准相关数据

EINECS:
212-367-6

喷沙西林氢碘酸盐(808-71-9)推荐厂家 更多厂家(15)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单
西安德而塔生物科技有限公司 18133906270
18133906270
张女士 2590956145
询单
西安德而塔生物科技有限公司 18133906270
18133906270
张女士 2590956145
询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
深圳市瑞吉特生物科技有限公司 15813841136
0755-89459231
钦先生 1029374309
询单
南兴化工(江苏)有限公司 18651116180
0512-66387035
闵慧萍 3771156959 询单
上海赛可锐生物科技有限公司 15900491054
021-58000709
赛可锐生物-许经理
询单
上海赛可锐生物科技有限公司 15900491054
021-58000709
赛可锐生物-许经理
询单
上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
询单
天津卡普希科技有限公司 15522538417
022-66211079
Emy Wu 230671298 询单

喷沙西林氢碘酸盐(808-71-9)合成路线

合成路线:1 步
反应条件:
参考文献:
Synthesis, isolation, and purification of benzylpenicillin β-diethylaminoethyl ester hydroiodide
Savel'ev, E. A.; Volkova, I. M.; Kovalevskaya, A. L., Russian Journal of Applied Chemistry, 2010, 83(7), 1230-1237