Bacmecillinam
[CAS# 50846-45-2]

Identification

• Name: Bacmecillinam
• Synonyms: 1-Ethoxycarbonyloxyethyl (2S,5R,6R)-6-(Azepan-1-Ylmethyleneamino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate Hydrochloride; (2S,5R,6R)-6-(1-Azepanylmethyleneamino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 1-Ethoxycarbonyloxyethyl Ester Hydrochloride; (2S,5R,6R)-6-(Azepan-1-Ylmethyleneamino)-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 1-Carbethoxyoxyethyl Ester Hydrochloride
• Molecular Formula: C₂₀H₃₂ClN₃O₆S
• Molecular Weight: 478.00
• CAS Registry Number: 50846-45-2
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2N=CN3CCCCCC3)C(OC(OC(OCC)=O)C)=O)(C)C.[H+].[Cl-]
• InChI: 1S/C20H31N3O6S.ClH/c1-5-27-19(26)29-13(2)28-18(25)15-20(3,4)30-17-14(16(24)23(15)17)21-12-22-10-8-6-7-9-11-22;/h12-15,17H,5-11H2,1-4H3;1H/t13?,14-,15+,17-;/m1./s1
• InChIKey: IOONVTSSPKMENS-IQGVPFJLSA-N

Properties

• Boiling point: 578.2°C at 760 mmHg (Cal.)
• Flash point: 303.5°C (Cal.)