Propicillin
[CAS# 551-27-9]

Identification

• Name: Propicillin
• Synonyms: 3,3-Dimethyl-7-Oxo-6-[[1-Oxo-2-(Phenoxy)Butyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 7-Keto-3,3-Dimethyl-6-[2-(Phenoxy)Butanoylamino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (1-Phenoxypropyl)Penicillin
• Molecular Formula: C₁₈H₂₂N₂O₅S
• Molecular Weight: 378.44
• CAS Registry Number: 551-27-9
• EINECS: 208-995-5
• SMILES: C1=CC=CC=C1OC(C(NC3C2N(C(C(C)(C)S2)C(O)=O)C3=O)=O)CC
• InChI: 1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)
• InChIKey: HOCWPKXKMNXINF-UHFFFAOYSA-N

Properties

• Density: 1.38g/cm³ (Cal.)
• Boiling point: 675.513°C at 760 mmHg (Cal.)
• Flash point: 362.338°C (Cal.)