Bacmecillinam hydrochloride
1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride
Also Known As: Bacmecillinam hydrochloride|Bacmecillinam HCl|1'-Ethoxycarbonyloxyethyl 6-beta-((hexahydro-1H-azepin-1-yl)methyleneamino)penicillanate HCl|1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-, 1-((ethoxycarbonyl)oxy)ethyl ester, (2S-(2-alpha,5-alpha,6-beta))-, hydrochloride|1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrochloride
| Molecular Formula | C20H32ClN3O6S |
|---|---|
| Molecular Weight | 477.17004 g/mol |
| LogP | 2.8057 |
| Topological Polar Surface Area | 97.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.17004 |
| Monoisotopic Mass | 477.17004 |
| Heavy Atoms | 31 |
| Complexity | 698.40265 |
Chemical Identifiers
| CAS Number | 76996-24-2 |
|---|---|
| SMILES | CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2N=CN3CCCCCC3)(C)C.Cl |
Product Overview
Bacmecillinam hydrochloride (CAS 76996-24-2), with molecular formula C20H32ClN3O6S and molecular weight 477.17004 g/mol. IUPAC: 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride.