3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid
(6R,7R)-3-[2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Nitrocefin|3-(2,4-dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid|(6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C21H16N4O8S2 |
|---|---|
| Molecular Weight | 516.04095 g/mol |
| LogP | 2.56 |
| Topological Polar Surface Area | 172.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 516.04095 |
| Heavy Atoms | 35 |
| Complexity | 1304.4 |
Chemical Identifiers
| CAS Number | 41906-86-9 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)C=CC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-(2,4-Dinitrostyryl)-(6r,7r)-7-(2-thienylacetamido)-ceph-3-em-4-carboxylic acid (CAS 41906-86-9), with molecular formula C21H16N4O8S2 and molecular weight 516.04095 g/mol. IUPAC: (6R,7R)-3-[2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
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