(2R)-2-Cyclopentyl-2-Hydroxy-N-[1-(4-Methyl-3-Penten-1-Yl)-4-Piperidinyl]-2-Phenylacetamide (2E)-2-Butenedioate (1:1)
[CAS# 244277-89-2]

Identification

• Name: (2R)-2-Cyclopentyl-2-Hydroxy-N-[1-(4-Methyl-3-Penten-1-Yl)-4-Piperidinyl]-2-Phenylacetamide (2E)-2-Butenedioate (1:1)
• Synonyms: (aR)-a-Cyclopentyl-a-hydroxy-N-[1-(4-methyl-3-pentenyl)-4-piperidinyl]benzeneacetamide fumarate; [244277-89-2]
• Molecular Formula: C₂₈H₄₀N₂O₆
• Molecular Weight: 500.63
• CAS Registry Number: 244277-89-2
• SMILES: CC(=CCCN1CCC(CC1)NC(=O)[C@@](C2CCCC2)(C3=CC=CC=C3)O)C.C(=C/C(=O)O)\C(=O)O
• InChI: 1S/C24H36N2O2.C4H4O4/c1-19(2)9-8-16-26-17-14-22(15-18-26)25-23(27)24(28,21-12-6-7-13-21)20-10-4-3-5-11-20;5-3(6)1-2-4(7)8/h3-5,9-11,21-22,28H,6-8,12-18H2,1-2H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1+/t24-;/m0./s1
• InChIKey: HUCQUCITPHOUAC-DSSYAJFBSA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 50 mM in ethanol