DN 9550
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1H-imidazol-5-ylmethoxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride
Also Known As: DN 9550|DN-9550|7-(2-(2-Aminothiazol-4-yl)-2-(1H-imidazol-4-yl)methoxyiminoacetamido)-3-((1-pyridinio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate hcl|(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1H-imidazol-5-ylmethoxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride|Pyridinium, 1-((7-(((2-amino-4-thiazolyl)((1H-imidazol-4-ylmethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, hydroxide, inner salt, monohydrochloride, (6R-(6alpha,7beta(Z)))-
| Molecular Formula | C22H21ClN8O5S2 |
|---|---|
| Molecular Weight | 576.0765 g/mol |
| LogP | -2.9004 |
| Topological Polar Surface Area | 179.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 576.0765 |
| Monoisotopic Mass | 576.0765 |
| Heavy Atoms | 38 |
| Complexity | 1395.6266 |
Chemical Identifiers
| CAS Number | 96902-44-2 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\OCC3=CN=CN3)/C4=CSC(=N4)N)C(=O)O)C[N+]5=CC=CC=C5.[Cl-] |
Product Overview
DN 9550 (CAS 96902-44-2), with molecular formula C22H21ClN8O5S2 and molecular weight 576.0765 g/mol. IUPAC: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1H-imidazol-5-ylmethoxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride.