Lactopen
[CAS# 71798-32-8]

Identification

• Name: Lactopen
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(1-Oxo-2-Phenylethyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 2-Dimethylaminoethyl Ester Hydroiodide; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 2-Dimethylaminoethyl Ester Hydroiodide; 2-Dimethylaminoethyl (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-(2-Phenylethanoylamino)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate Hydroiodide
• Molecular Formula: C₂₀H₂₈IN₃O₄S
• Molecular Weight: 533.42
• CAS Registry Number: 71798-32-8
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(OCCN(C)C)=O)(C)C.[H+].[I-]
• InChI: 1S/C20H27N3O4S.HI/c1-20(2)16(19(26)27-11-10-22(3)4)23-17(25)15(18(23)28-20)21-14(24)12-13-8-6-5-7-9-13;/h5-9,15-16,18H,10-12H2,1-4H3,(H,21,24);1H/t15-,16+,18-;/m1./s1
• InChIKey: NGASWANRINDJST-PNQHFFRLSA-N

Properties

• Boiling point: 630.1°C at 760 mmHg (Cal.)
• Flash point: 334.9°C (Cal.)