基本信息
| 中文名称 | (6R,7R)-7-AMINO-8-OXO-3-((2S)-TETRAHYDROFURAN-2-YL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID 4-NITROBENZYL ESTER HCL |
|---|---|
| 中文同义词 | |
| 英文名称 | (6R,7R)-7-AMINO-8-OXO-3-((2S)-TETRAHYDROFURAN-2-YL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID 4-NITROBENZYL ESTER HCL |
| 英文同义词 | (6R,7R)-7-AMINO-8-OXO-3-((2S)-TETRAHYDROFURAN-2-YL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID 4-NITROBENZYL ESTER HCL;(6R,7R)-4-Nitrobenzyl 7-amino-8-oxo-3-((S)-tetrahydrofuran-2-yl)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride;Cefovecin sodium Intermediate |
| CAS号 | 655233-39-9 |
| 分子式 | C18H20ClN3O6S |
| 分子量 | 441.8859 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 655233-39-9.mol |
| 结构式 | ![(6R,7R)-7-AMINO-8-OXO-3-((2S)-TETRAHYDROFURAN-2-YL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID 4-NITROBENZYL ESTER HCL 结构式](CAS/20180702/GIF/655233-39-9.gif) |
(6R,7R)-7-AMINO-8-OXO-3-((2S)-TETRAHYDROFURAN-2-YL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID 4-NITROBENZYL ESTER HCL 性质
| 熔点 | 202 °C (decomp) |
|---|---|
| InChI | InChI=1/C18H19N3O6S.ClH/c19-14-16(22)20-15(12(9-28-17(14)20)13-2-1-7-26-13)18(23)27-8-10-3-5-11(6-4-10)21(24)25;/h3-6,13-14,17H,1-2,7-9,19H2;1H/t13-,14+,17+;/s3 |
| InChIKey | ABOHBEFEJCGWAJ-QGTXCHAGNA-N |
| SMILES | N12[C@@]([H])([C@H](N)C1=O)SCC([C@@H]1CCCO1)=C2C(OCC1=CC=C([N+]([O-])=O)C=C1)=O.[H]Cl |&1:1,3,10,r| |