6-Amino-2-[[2-(Carboxymethyl)-3-Oxo-2-Azabicyclo[5.4.0]Undeca-7,9,11-Trien-4-Yl]Amino]Hexanoic Acid
[CAS# 97878-35-8]

Identification

• Name: 6-Amino-2-[[2-(Carboxymethyl)-3-Oxo-2-Azabicyclo[5.4.0]Undeca-7,9,11-Trien-4-Yl]Amino]Hexanoic Acid
• Synonyms: 6-Amino-2-[[1-(Carboxymethyl)-2-Keto-4,5-Dihydro-3H-1-Benzazepin-3-Yl]Amino]Hexanoic Acid; Libenzapril
• Molecular Formula: C₁₈H₂₅N₃O₅
• Molecular Weight: 363.41
• CAS Registry Number: 97878-35-8
• SMILES: C1=CC=CC2=C1N(C(C(NC(CCCCN)C(O)=O)CC2)=O)CC(O)=O
• InChI: 1S/C18H25N3O5/c19-10-4-3-6-14(18(25)26)20-13-9-8-12-5-1-2-7-15(12)21(17(13)24)11-16(22)23/h1-2,5,7,13-14,20H,3-4,6,8-11,19H2,(H,22,23)(H,25,26)
• InChIKey: AXTCRUUITQKBAV-UHFFFAOYSA-N

Properties

• Density: 1.336g/cm³ (Cal.)
• Boiling point: 692.941°C at 760 mmHg (Cal.)
• Flash point: 372.878°C (Cal.)