Clometocillin
[CAS# 1926-49-4]

Identification

• Classification: API >> Antibiotics >> Penicillin
• Name: Clometocillin
• Synonyms: (2S,5R,6R)-6-[[2-(3,4-Dichlorophenyl)-2-Methoxy-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-(3,4-Dichlorophenyl)-2-Methoxy-1-Oxoethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-(3,4-Dichlorophenyl)-2-Methoxy-Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₇H₁₈Cl₂N₂O₅S
• Molecular Weight: 433.31
• CAS Registry Number: 1926-49-4
• EINECS: 217-657-6
• SMILES: [C@@H]12N([C@@H](C(O)=O)C(S1)(C)C)C(=O)[C@H]2NC(C(C3=CC=C(C(=C3)Cl)Cl)OC)=O
• InChI: 1S/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)/t10-,11?,12+,15-/m1/s1
• InChIKey: JKXQBIZCQJLVOS-GSNLGQFWSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 693.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 373.0±31.5°C (Cal.)