Prazocillin
[CAS# 15949-72-1]

Identification

• Name: Prazocillin
• Synonyms: (2S,5R,6R)-6-[[2-(2,6-Dichlorophenyl)-4-Methyl-Pyrazole-3-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[[2-(2,6-Dichlorophenyl)-4-Methyl-3-Pyrazolyl]-Oxomethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-(2,6-Dichlorophenyl)-4-Methyl-Pyrazole-3-Carbonyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₉H₁₈Cl₂N₄O₄S
• Molecular Weight: 469.34
• CAS Registry Number: 15949-72-1
• SMILES: [C@@H]12N([C@H](C(C)(C)S1)C(O)=O)C(=O)[C@H]2NC(C3=C(C=N[N]3C4=C(C=CC=C4Cl)Cl)C)=O
• InChI: 1S/C19H18Cl2N4O4S/c1-8-7-22-25(13-9(20)5-4-6-10(13)21)12(8)15(26)23-11-16(27)24-14(18(28)29)19(2,3)30-17(11)24/h4-7,11,14,17H,1-3H3,(H,23,26)(H,28,29)/t11-,14+,17-/m1/s1
• InChIKey: XRCKXULNIUSXFZ-HYSWKAIVSA-N

Properties

• Density: 1.675g/cm³ (Cal.)
• Boiling point: 743.502°C at 760 mmHg (Cal.)
• Flash point: 403.456°C (Cal.)