1-Butyl-2-Hydroxy-N-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)-4-Oxo-1,8-Naphthyridine-3-Carboxamide (E)-2-butenedioate
[CAS# 139094-71-6]

Identification

• Name: 1-Butyl-2-Hydroxy-N-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)-4-Oxo-1,8-Naphthyridine-3-Carboxamide (E)-2-butenedioate
• Synonyms: But-2-Enedioic Acid; 1-Butyl-2-Hydroxy-4-Keto-N-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)-1,8-Naphthyridine-3-Carboxamide; 1,8-Naphthyridine-3-Carboxamide, 1,2-Dihydro-1-Butyl-4-Hydroxy-N-(8-Methyl-8-Azabicyclo(3.2.1)Oct-3-Yl)-2-Oxo-, Endo-, (E)-2-Butenedioate (1:1) (Salt)
• Molecular Formula: C₂₅H₃₂N₄O₇
• Molecular Weight: 500.55
• CAS Registry Number: 139094-71-6
• SMILES: C1=CC=NC2=C1C(=O)C(=C(O)N2CCCC)C(=O)NC4CC3N(C(CC3)C4)C.O=C(O)\C=C\C(O)=O
• InChI: 1S/C21H28N4O3.C4H4O4/c1-3-4-10-25-19-16(6-5-9-22-19)18(26)17(21(25)28)20(27)23-13-11-14-7-8-15(12-13)24(14)2;5-3(6)1-2-4(7)8/h5-6,9,13-15,28H,3-4,7-8,10-12H2,1-2H3,(H,23,27);1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: XXOPAEREFXSYHC-WLHGVMLRSA-N

Properties

• Boiling point: 559.9°C at 760 mmHg (Cal.)
• Flash point: 292.4°C (Cal.)