Bacampicillin
[CAS# 50972-17-3]

Identification

• Name: Bacampicillin
• Synonyms: 1-Ethoxycarbonyloxyethyl (2S,5R)-6-[[(2R)-2-Amino-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate Hydrochloride; (2S,5R)-6-[[(2R)-2-Amino-1-Oxo-2-Phenylethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 1-Ethoxycarbonyloxyethyl Ester Hydrochloride; (2S,5R)-6-[[(2R)-2-Amino-2-Phenyl-Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 1-Carbethoxyoxyethyl Ester Hydrochloride
• Molecular Formula: C₂₁H₂₈ClN₃O₇S
• Molecular Weight: 501.98
• CAS Registry Number: 50972-17-3
• SMILES: [C@H]12SC([C@@H](N1C(=O)C2NC(=O)[C@H](N)C3=CC=CC=C3)C(OC(OC(OCC)=O)C)=O)(C)C.[H+].[Cl-]
• InChI: 1S/C21H27N3O7S.ClH/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12;/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25);1H/t11?,13-,14?,15+,18-;/m1./s1
• InChIKey: IWVTXAGTHUECPN-WBELVDHVSA-N

Properties

• Boiling point: 678.4°C at 760 mmHg (Cal.)
• Flash point: 364.1°C (Cal.)