66148-78-5 (替莫西林,Temocillin)

CAS号:
66148-78-5
中文名称:
替莫西林
英文名称:
Temocillin
分子式:
C16H18N2O7S2
分子量:
414.453321933746
简介:
替莫西林为耐β 内酰胺酶的半合成青霉素。对革兰阴性菌有高度抗菌活性,对β?内酰胺酶高度稳定,某些第三代头孢菌素耐药的革兰阴性菌应用本品有效。对肠杆菌属细菌、溶血性链球菌等抗菌活性好;但对绿脓杆菌活性差。
临床应用于敏感菌所致的败血症、呼吸道感染腹膜炎、胆道感染、尿路感染及软组织感染等。常用剂量,1g~2g/次,1次/12小时,肌注或静注;对单纯性尿路感染0.5g/次,2次/日。对有肾功能损害的病人,用药间隔可延长。

替莫西林(66148-78-5)名称与标识符

名称

中文别名:
替莫西林;(2S,5R,6S)-6-[(3-羟基-3-氧代-2-噻吩-3-基丙酰)氨基]-6-甲氧基-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-羧酸;(6S)-6-[2-羧基-2-(3-噻吩基)乙酰氨基]-6-甲氧基青霉烷酸;
英文别名:
Temocillin;(2S,5R,6S)-6-[(3-Hydroxy-3-oxo-2-thiophen-3-ylpropanoyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;N-((2S,5R,6S)-2-Carboxy-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-3-thiophenemalonamic acid;(2S,5R,6S)-6-[(2-carboxy-2-thiophen-3-ylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;TEMOCILLIN SODIUM;EINECS 266-184-1;Temocillina;Temocillina [INN-Spanish];Temocilline;Temocilline [INN-French];Temocillinum;Temocillinum [INN-Latin];CHEMBL1276310;Temocillin (USAN);(2S,5R,6S)-6-(2-carboxy-2-(thiophen-3-yl)acetamido)-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;6beta-[carboxy(thiophen-3-yl)acetamido]-6-methoxy-2,2-dimethylpenam-3alpha-carboxylic acid;CHEBI:51817;D06064;temocillin disodium;TEMOCILLIN [WHO-DD];BRL-17421;CS-0356857;EN300-19766369;(2S,5R,6S)-6-{[carboxy(3-thienyl)acetyl]amino}-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;UNII-03QB156W6I;4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((CARBOXY-3-THIENYLACETYL)AMINO)-6-METHOXY-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.ALPHA.))-;Temocillin [USAN:INN:BAN];N-((2S,5R,6S)-2-Carboxy-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-3-thiophenemalonamic acid;DTXSID201009398;66148-78-5;(2S,5R,6S)-6-{[carboxy(thiophen-3-yl)acetyl]amino}-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;N-[(2S,5R,6S)-2-Carboxy-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-3-thiophenemalonamic acid;(2S,5R,6S)-6-[2-carboxy-2-(thiophen-3-yl)acetamido]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;TEMOCILLIN [INN];BRL17421;DB12343;03QB156W6I;TEMOCILLIN [MI];BVCKFLJARNKCSS-DWPRYXJFSA-N;GTPL10926;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((carboxy-3-thienylacetyl)amino)-6-methoxy-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6alpha))-;A900942;BRL 17421;BRL 17421 FREE ACID;BRL 17421 [as sodium];TEMOCILLIN [USAN];NS00100729;SCHEMBL34084;Negaban;HY-145158;Q3983108;TEMOCILLIN [MART.];(2S,5R,6S)-6-[2-carboxy(thiophen-3-yl)acetamido]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;BRL-17421 FREE ACID;DTXCID701436229;(2S,5R,6S)-6-((2-carboxy-2-thiophen-3-ylacetyl)amino)-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;(2S,5R,6S)-6-((carboxy(3-thienyl)acetyl)amino)-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;(2S,5R,6S)-6-((carboxy(thiophen-3-yl)acetyl)amino)-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;Temocilline (INN-French);BRL 17421 (AS SODIUM);Temocillinum (INN-Latin);DA-68036;Temocillina (INN-Spanish);6beta-(carboxy(thiophen-3-yl)acetamido)-6-methoxy-2,2-dimethylpenam-3alpha-carboxylic acid;Negaban (TN);(2S,5R,6S)-6-(2-carboxy(thiophen-3-yl)acetamido)-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;TEMOCILLIN (MART.);temocillin, (2S-(2alpha,5alpha,6alpha))-isomer;

标识符

MDL:
MFCD00865071
InChIKey:
BVCKFLJARNKCSS-DWPRYXJFSA-N
Inchi:
1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1
SMILES:
S1C(C)(C)[C@H](C(=O)O)N2C([C@]([C@@H]12)(NC(C(C(=O)O)C1=CSC=C1)=O)OC)=O

替莫西林(66148-78-5)物化性质

实验特性

  • LogP : 0.85090
  • PSA : 186.78000
  • 折射率 : 1.675
  • 沸点 : 761.9 °C at 760 mmHg
  • 闪点 : 761.9 °C at 760 mmHg
  • 密度 : 1.6

计算特性

  • 精确分子量 : 414.05600
  • 氢键供体数量 : 3
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 6
  • 同位素质量 : 414.055542
  • 重原子数量 : 27
  • 复杂度 : 700
  • 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 : 1
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 1.1
  • 互变异构体数量 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 187

替莫西林(66148-78-5)国际标准相关数据

EINECS:
266-184-1

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