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头孢菌素 C | 61-24-5

头孢菌素 C结构式图片|61-24-5结构式图片
头孢菌素 C
7-(5-amino-5-carboxyvaleramido)cephalosporanic acid
61-24-5
C16H21N3O8S
415.41824
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:头孢菌素 C结构式
65536
名称和标识符
InChIKey HOKIDJSKDBPKTQ-GLXFQSAKSA-N
Inchi 1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9?,11-,14-/m1/s1
SMILES CC(OCC1=C(N2C([C@@H](NC(CCC[C@@H](N)C(O)=O)=O)[C@H]2SC1)=O)C(O)=O)=O
别名信息
- 中文别名 -
  • 头孢菌素 C
  • 7-(D-5-氨基-5-羧基戊酰胺基)头孢霉烷酸
- 英文别名 -
  • 7-(5-amino-5-carboxyvaleramido)cephalosporanic acid
  • CAPHALOSPORIN C
  • 5-Thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid, 3-(acetyloxy)methyl-7-(5R)-5-amino-5-carboxy-1-oxopentylamino-8-oxo-, (6R,7R)-
  • 7-(D-5-Amino-5-carboxyvaleramido)-3-(hydrox-ymethyl)-8-oxo-5-thia-1-azabicyclo[4,2,0]oct-2-ene-2-Carboxylic acid acetate
  • (7R)-3-[(Acetyloxy)methyl]-7-[[(R)-5-carboxy-5-amino-1-oxopentyl)amino]cepham-3-ene-4-carboxylic acid
  • (7R)-3-[(Acetyloxy)methyl]-7-[[(R)-5-carboxy-5-amino-1-oxopentyl]amino]cepham-3-ene-4-carboxylic acid
  • Aminoadipyl cephalosporin
  • C00916
  • (6R,7R)-3-(Acetoxymethyl)-7-[(5-amino-5-carboxypentanoyl)amino]-8 -oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • cefalosporin C
  • Centpropazine
  • Centropazine
  • cephalosphorin C
  • Cephalosporin
  • Cephalosporin C
  • cephalosporn C
  • BRN 0065348
  • BRN 0065348
  • DTXSID90960427
  • DTXSID90960427
  • EINECS 254-669-0
  • EINECS 254-669-0
  • cephalosporinC
  • cephalosporinC
  • UNII-3XIY7HJT5L
  • UNII-3XIY7HJT5L
  • (6R,7R)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R,7R)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Cephalosporin C disodium salt
  • Cephalosporin C disodium salt
  • 4-27-00-05902 (Beilstein Handbook Reference)
  • 4-27-00-05902 (Beilstein Handbook Reference)
  • NS00011597
  • NS00011597
  • 61-24-5
  • 61-24-5
  • CHEBI:15776
  • CHEBI:15776
  • CEPHALOSPORIN C [MI]
  • CEPHALOSPORIN C [MI]
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-, (6R-(6alpha,7beta(R*)))-
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-, (6R-(6alpha,7beta(R*)))-
  • 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-, (6R,7R)-
  • 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-, (6R,7R)-
  • DB03313
  • DB03313
  • 39879-21-5
  • 39879-21-5
  • EINECS 200-501-6
  • EINECS 200-501-6
  • (6R,7R)-3-[(acetyloxy)methyl]-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R,7R)-3-[(acetyloxy)methyl]-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • EINECS 234-341-3
  • EINECS 234-341-3
  • HOKIDJSKDBPKTQ-GLXFQSAKSA-N
  • HOKIDJSKDBPKTQ-GLXFQSAKSA-N
  • cephalosporins
  • cephalosporins
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-, disodium salt, (6R-(6alpha,7beta(R*)))-
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-, disodium salt, (6R-(6alpha,7beta(R*)))-
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3-(hydroxymethyl)-8-oxo-, acetate (ester)
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3-(hydroxymethyl)-8-oxo-, acetate (ester)
  • Disodium (6R-(6alpha,7beta(R*)))-3-(acetoxymethyl)-7-((5-amino-5-carboxylato-1-oxopentyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
  • Disodium (6R-(6alpha,7beta(R*)))-3-(acetoxymethyl)-7-((5-amino-5-carboxylato-1-oxopentyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
  • SDCCGSBI-0050269.P002
  • SDCCGSBI-0050269.P002
  • Epitope ID:116208
  • Epitope ID:116208
  • CHEMBL482858
  • CHEMBL482858
  • Q5063335
  • Q5063335
  • NSC 757790
  • NSC 757790
  • NSC-757790
  • NSC-757790
  • CEPHALOSPORIN C [WHO-DD]
  • CEPHALOSPORIN C [WHO-DD]
  • CEFAZEDONE SODIUM SALT IMPURITY 2
  • CEFAZEDONE SODIUM SALT IMPURITY 2
  • CEPHALOSPORIN-C
  • CEPHALOSPORIN-C
  • 3XIY7HJT5L
  • 3XIY7HJT5L
  • 59143-60-1
  • 59143-60-1
  • 7-(5-Amino-5-carboxyvaleramido)cephalosporanic acid
  • 7-(5-Amino-5-carboxyvaleramido)cephalosporanic acid
  • SCHEMBL76583
  • SCHEMBL76583
  • cephalosporin C
  • cephalosporin C
  • Cephalosporin C [INN:BAN]
  • Cephalosporin C [INN:BAN]
物化性质
实验特性
LogP 0.34880
PSA 205.12000
折射率 1.639
沸点 814.7ºC at 760 mmHg
闪点 446.5ºC
密度 1.55
计算特性
精确分子量 415.10500
氢键供体数量 4
氢键受体数量 11
可旋转化学键数量 11
同位素质量 415.105
重原子数量 28
复杂度 737
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 1
疏水参数计算参考值(XlogP) _4.4
拓扑分子极性表面积 202A^2
相关文献
专业数据库参考
PubChemId 65536
参考资料
Reaxys RN
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