AC1O5AWF
(6R,7R)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride
Also Known As: cefaloridin, hydrochloride|EINECS 265-826-8|1-(((6R,7R)-2-Carboxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)pyridin-1-ium chloride|(6R,7R)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride|(6R-trans)-1-((2-Carboxy-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)pyridinium chloride|1-(((6R,7R)-2-Carboxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)pyridin-1-iumchloride|1-[(6R)-2-carboxy-8-oxo-7t-(2-thiophen-2-yl-acetylamino)-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-3-ylmethyl]-pyridinium, chloride
| Molecular Formula | C19H18ClN3O4S2 |
|---|---|
| Molecular Weight | 451.04272 g/mol |
| LogP | -1.9791 |
| Topological Polar Surface Area | 90.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.04272 |
| Monoisotopic Mass | 451.04272 |
| Heavy Atoms | 29 |
| Complexity | 949.62854 |
Chemical Identifiers
| CAS Number | 65575-73-7 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)C[N+]4=CC=CC=C4.[Cl-] |
Product Overview
AC1O5AWF (CAS 65575-73-7), with molecular formula C19H18ClN3O4S2 and molecular weight 451.04272 g/mol. IUPAC: (6R,7R)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride.