Penethamate
[CAS# 3689-73-4]

Identification

• Name: Penethamate
• 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-Diethylaminoethyl 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-Diethylaminoethyl Ester Hydroiodide; 2-Diethylaminoethyl (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-(2-Phenylethanoylamino)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate Hydroiodide
• Molecular Formula: C₂₂H₃₂IN₃O₄S
• Molecular Weight: 561.48
• CAS Registry Number: 3689-73-4
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(OCCN(CC)CC)=O)(C)C.[H+].[I-]
• InChI: 1S/C22H31N3O4S.HI/c1-5-24(6-2)12-13-29-21(28)18-22(3,4)30-20-17(19(27)25(18)20)23-16(26)14-15-10-8-7-9-11-15;/h7-11,17-18,20H,5-6,12-14H2,1-4H3,(H,23,26);1H/t17-,18+,20-;/m1./s1
• InChIKey: XWRCFDRXQPRCCO-FLQNVMKHSA-N