Sarpicillin
[CAS# 40966-79-8]

Identification

• Name: Sarpicillin
• Synonyms: Methoxymethyl (2S,5R,6R)-6-(2,2-Dimethyl-5-Oxo-4-Phenyl-Imidazolidin-1-Yl)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; (2S,5R,6R)-6-(2,2-Dimethyl-5-Oxo-4-Phenyl-1-Imidazolidinyl)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Methoxymethyl Ester; (2S,5R,6R)-7-Keto-6-(5-Keto-2,2-Dimethyl-4-Phenyl-Imidazolidin-1-Yl)-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Methoxymethyl Ester
• Molecular Formula: C₂₁H₂₇N₃O₅S
• Molecular Weight: 433.52
• CAS Registry Number: 40966-79-8
• SMILES: [C@@H]2([C@@H]1N([C@@H](C(OCOC)=O)C(S1)(C)C)C2=O)N4C(C(C3=CC=CC=C3)NC4(C)C)=O
• InChI: 1S/C21H27N3O5S/c1-20(2)15(19(27)29-11-28-5)23-17(26)14(18(23)30-20)24-16(25)13(22-21(24,3)4)12-9-7-6-8-10-12/h6-10,13-15,18,22H,11H2,1-5H3/t13?,14-,15+,18-/m1/s1
• InChIKey: QTQPGZVDUCMVLK-KRWWSPQJSA-N

Properties

• Density: 1.358g/cm³ (Cal.)
• Boiling point: 619.81°C at 760 mmHg (Cal.)
• Flash point: 328.649°C (Cal.)