头孢菌素 C | 61-24-5
中文名称:
头孢菌素 C
英文名称:
7-(5-amino-5-carboxyvaleramido)cephalosporanic acid
CAS No.:
61-24-5
分子式:
C1 6 H2 1 N3 O8 S
分子量:
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
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
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