N-[(3R)-1-Azabicyclo[2.2.2]Oct-3-Yl]-2,3-Dihydro-1,4-Benzodioxine-6-Carboxamide (2E)-2-Butenedioate (1:1)
[CAS# 527680-56-4]

Identification

• Name: N-[(3R)-1-Azabicyclo[2.2.2]Oct-3-Yl]-2,3-Dihydro-1,4-Benzodioxine-6-Carboxamide (2E)-2-Butenedioate (1:1)
• Synonyms: [527680-56-4]; N-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,3-dihydro-1,4-benzodioxin-6-carboxamide fumarate; PHA 568487
• Molecular Formula: C₂₀H₂₄N₂O₇
• Molecular Weight: 404.41
• CAS Registry Number: 527680-56-4
• SMILES: C1CN2CCC1[C@H](C2)NC(=O)C3=CC4=C(C=C3)OCCO4.C(=C/C(=O)O)\C(=O)O
• InChI: 1S/C16H20N2O3.C4H4O4/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14;5-3(6)1-2-4(7)8/h1-2,9,11,13H,3-8,10H2,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1
• InChIKey: QYQZUGYJVHHHEE-QDSMGTAFSA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 100 mM in water and to 100 mM in DMSO