endo-,1,2-dihydro-4-hydroxy-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-2-oxo-1-phenyl-3-Quinolinecarboxamide (E)-2-butenedioate hydrate (1:1:2) (salt)
[CAS# 139094-69-2]

Identification

• Name: endo-,1,2-dihydro-4-hydroxy-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-2-oxo-1-phenyl-3-Quinolinecarboxamide (E)-2-butenedioate hydrate (1:1:2) (salt)
• Synonyms: But-2-Enedioic Acid; 2-Hydroxy-N-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)-4-Oxo-1-Phenyl-Quinoline-3-Carboxamide; But-2-Enedioic Acid; 2-Hydroxy-N-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)-4-Oxo-1-Phenyl-3-Quinolinecarboxamide; But-2-Enedioic Acid; 2-Hydroxy-4-Keto-N-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)-1-Phenyl-Quinoline-3-Carboxamide
• Molecular Formula: C₂₈H₂₉N₃O₇
• Molecular Weight: 519.55
• CAS Registry Number: 139094-69-2
• SMILES: C2=C1C(=O)C(=C(O)N(C1=CC=C2)C3=CC=CC=C3)C(=O)NC5CC4N(C(CC4)C5)C.O=C(O)\C=C\C(O)=O
• InChI: 1S/C24H25N3O3.C4H4O4/c1-26-17-11-12-18(26)14-15(13-17)25-23(29)21-22(28)19-9-5-6-10-20(19)27(24(21)30)16-7-3-2-4-8-16;5-3(6)1-2-4(7)8/h2-10,15,17-18,30H,11-14H2,1H3,(H,25,29);1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: OGFWFWNWURYKSK-WLHGVMLRSA-N

Properties

• Boiling point: 577°C at 760 mmHg (Cal.)
• Flash point: 302.8°C (Cal.)