(-)-Santiaguine
[2,4-diphenyl-3-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridine-1-carbonyl]cyclobutyl]-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]methanone
Also Known As: (-)-Santiaguine|Santiaguine|[2,4-diphenyl-3-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridine-1-carbonyl]cyclobutyl]-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]methanone|(2,4-Diphenylcyclobutane-1,3-diyl)bis({5-[(2R)-piperidin-2-yl]-3,4-dihydropyridin-1(2H)-yl}methanone)|(2,4-Diphenylcyclobutane-1,3-diyl)bis{[5-(piperidin-2-yl)-3,4-dihydropyridin-1(2H)-yl]methanone}|[2,4-di(phenyl)-3-[3-[(2r)-piperidin-2-yl]5,6-dihydro-4h-pyridine-1-carbonyl]cyclobutyl]-[3-[(2r)-piperidin-2-yl]-5,6-dihydro-4h-pyridin-1-yl]methanone|[2,4-diphenyl-3-[5-[(2R)-2-piperidyl]-3,4-dihydro-2H-pyridine-1-carbonyl]cyclobutyl]-[5-[(2R)-2-piperidyl]-3,4-dihydro-2H-pyridin-1-yl]methanone
| Molecular Formula | C38H48N4O2 |
|---|---|
| Molecular Weight | 592.37775 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 592.37775 |
| Monoisotopic Mass | 592.37775 |
| Heavy Atoms | 44 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 528-31-4 |
|---|---|
| SMILES | C1CCN[C@H](C1)C2=CN(CCC2)C(=O)C3C(C(C3C4=CC=CC=C4)C(=O)N5CCCC(=C5)[C@H]6CCCCN6)C7=CC=CC=C7 |
| InChIKey | OHNNTQXKHRISJP-AAGWKZJCSA-N |
Product Overview
(-)-Santiaguine (CAS 528-31-4), with molecular formula C38H48N4O2 and molecular weight 592.37775 g/mol. IUPAC: [2,4-diphenyl-3-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridine-1-carbonyl]cyclobutyl]-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]methanone.
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