Amantocillin
[CAS# 10004-67-8]

Identification

• Name: Amantocillin
• Synonyms: (2S,5R,6R)-6-[[[(5S,7R)-3-Amino-1-Adamantyl]-Oxomethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(5S,7R)-3-Aminoadamantane-1-Carbonyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(5S,7R)-3-Amino-1-Adamantyl]Carbonylamino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₉H₂₇N₃O₄S
• Molecular Weight: 393.50
• CAS Registry Number: 10004-67-8
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C34CC5(N)C[C@@H](C3)C[C@@H](C4)C5)C(=O)O)(C)C
• InChI: 1S/C19H27N3O4S/c1-17(2)12(15(24)25)22-13(23)11(14(22)27-17)21-16(26)18-4-9-3-10(5-18)7-19(20,6-9)8-18/h9-12,14H,3-8,20H2,1-2H3,(H,21,26)(H,24,25)/t9-,10+,11-,12+,14-,18+,19-/m1/s1
• InChIKey: AZGNYRUNQKZSJQ-VXBSEOCBSA-N

Properties

• Density: 1.452g/cm³ (Cal.)
• Boiling point: 680.716°C at 760 mmHg (Cal.)
• Flash point: 365.484°C (Cal.)