62587-73-9 (头孢磺啶,Cefsulodin)

CAS号:
62587-73-9
中文名称:
头孢磺啶
英文名称:
Cefsulodin
分子式:
C22H20N4O8S2
分子量:
532.546202659607
简介:
头孢磺啶又名磺吡苄头孢菌素。钠盐为白色至浅黄色结晶性粉末。易溶于水、1%磷酸盐缓冲液(pH值为7)、甲酰胺,几乎不溶于乙醇、丙酮、乙醚、氯仿。紫外吸收光谱262~264nm,旋光度+16.5°~+20.0°(c=10,水)。由7-氨基头孢烷酸为原料制得。为第三代头孢菌素。为绿脓杆菌感染专用药。适用于绿脓杆菌引起的败血症、肺炎、烧伤感染、肾盂肾炎、角膜溃疡等。制剂有粉针剂。

头孢磺啶(62587-73-9)名称与标识符

名称

中文别名:
头孢磺啶;头孢磺苄啶;磺吡苄头孢菌素;(6R,7R)-3-[(4-氨基甲酰基吡啶-1-鎓-1-基)甲基]-8-氧代-7-[[(2R)-2-苯基-2-磺酸基乙酰]氨基]-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-甲酸;(6R,7R)-3-[(4-氨基甲酰基吡啶-1--1-基)甲基]-8-氧代-7-[[(2R)-2-苯基-2-磺酸基乙酰]氨基]-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-甲酸;
英文别名:
Cefsulodin;(6R,7R)-3-[(4-Carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;CEFSULODIN,JP14;4-carbamoyl-1-[(6R)-2-carboxy-8-oxo-7t-((R)-2-phenyl-2-sulfo-acetylamino)-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-;Pyridinium,4-(aminocarbonyl)-1-[[(6R,7R)-2-carboxy-8-oxo-7-[[(2R)-phenylsulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-,inner salt;sulcephalosporin;Cefsulodin (INN);Cefsulodine;OV42LHE42B;4-Carbamoyl-1-(((6R,7R)-2-carboxy-8-oxo-7-((2R)-2-phenyl-2-sulfoacetaido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)pyridinium hydroxide, inner salt;(6R,7R)-3-((4-carbamoylpyridinio)methyl)-8-oxo-7-((R)-2-phenyl-2-sulfoacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat;CGP7174/E;CHEBI:3507;CGP-7174-E;Cefsulodinum [INN-Latin];CEFSULODIN [INN];CEFSULODIN [WHO-DD];CHEMBL3351077;7beta-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-3-(4-carbamoylpyridinium-1-yl)methyl-3,4-didehydrocepham-4-carboxylate;4-CARBAMOYL-1-(((6R,7R)-2-CARBOXY-8-OXO-7-((2R)-2-PHENYL-2-SULFOACETAMIDO)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYLPYRIDINIUM HYDROXIDE, INNER SALT;Cefsulodinum;Cefsulodino [INN-Spanish];GTPL10783;Cefonomil;Cefsulodine [INN-French];Abbott 46811;Cefsulodino;Epitope ID:120379;Cefsulodin [INN:BAN];DTXSID6022769;(6R,7R)-3-[(4-carbamoylpyridinium-1-yl)methyl]-8-oxo-7-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;UNII-OV42LHE42B;DB13499;D07653;SCHEMBL65525;J01DD03;CEFSULODIN [JAN];CEFSULODIN [MI];Pyridinium, 4-(aminocarbonyl)-1-((2-carboxy-8-oxo-7-((phenylsulfoacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt, (6R-(6alpha,7beta(R*)))-;62587-73-9;(6R,7R)-3-((4-carbamoylpyridinium-1-yl)methyl)-8-oxo-7-(((2R)-2-phenyl-2-sulfoacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate;7beta-(((2R)-2-phenyl-2-sulfoacetyl)amino)-3-(4-carbamoylpyridinium-1-yl)methyl-3,4-didehydrocepham-4-carboxylate;(6R,7R)-3-((4-carbamoylpyridinium-1-yl)methyl)-8-oxo-7-(((2R)-2-phenyl-2-sulfoacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate;Cefsulodin Monosodium Salt;J01DA12;DTXCID002769;Cefsulodinum (INN-Latin);(6R,7R)-3-((4-carbamoylpyridinio)methyl)-8-oxo-7-((R)-2-phenyl-2-sulfoacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylate;Pyridinium, 4-(aminocarbonyl)-1-((2-carboxy-8-oxo-7-((phenylsulfoacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt, monosodium salt, (6R-(6alpha,7beta(R*)))-;Cefsulodino (INN-Spanish);Cefsulodine (INN-French);(6R,7R)-3-[(4-carbamoylpyridinium-1-yl)methyl]-8-oxo-7-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;7beta-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-3-(4-carbamoylpyridinium-1-yl)methyl-3,4-didehydrocepham-4-carboxylate;cefsulodina;(6R,7R)-3-((4-carbamoylpyridin-1-ium-1-yl)methyl)-8-oxo-7-(((2R)-2-phenyl-2-sulfoacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate;Monosodium Salt, Cefsulodin;7beta-(((2R)-2-phenyl-2-sulfoacetyl)amino)-3-(4-carbamoylpyridinium-1-yl)methyl-3,4-didehydrocepham-4-carboxylate;

标识符

InChIKey:
SYLKGLMBLAAGSC-QLVMHMETSA-N
Inchi:
1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1
SMILES:
S1CC(C[N+]2C=CC(C(N)=O)=CC=2)=C(C(=O)[O-])N2C([C@H]([C@@H]12)NC([C@@H](C1C=CC=CC=1)S(=O)(=O)O)=O)=O

头孢磺啶(62587-73-9)物化性质

实验特性

  • LogP : -0.12670
  • PSA : 227.39000

计算特性

  • 精确分子量 : 531.06400
  • 氢键供体数量 : 3
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 9
  • 同位素质量 : 532.072255
  • 重原子数量 : 36
  • 复杂度 : 1050
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 3
  • 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) : 0.2
  • 拓扑分子极性表面积 : 225

头孢磺啶(62587-73-9)安全信息

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