Cyclacillin
[CAS# 3485-14-1]

Identification

• Name: Cyclacillin
• Synonyms: (2S,5R,6R)-6-[[(1-Aminocyclohexyl)-Oxomethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[(1-Aminocyclohexanecarbonyl)Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[(1-Aminocyclohexyl)Carbonylamino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₅H₂₃N₃O₄S
• Molecular Weight: 341.42
• CAS Registry Number: 3485-14-1
• EINECS: 222-470-8
• SMILES: [C@@H]12N([C@H](C(C)(C)S1)C(O)=O)C(=O)[C@H]2NC(C3(CCCCC3)N)=O
• InChI: 1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1
• InChIKey: HGBLNBBNRORJKI-WCABBAIRSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 649.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 346.7±31.5°C (Cal.)