| CAS Number | 109620-49-7 |
| Catalog Number | AG008XDP(AGN-PC-0OZNRW) |
| Chemical Name | (+)-TRANS-(1R,2R)-U-50488 HYDROCHLORIDE |
| IUPAC Name | 2-(3,4-dichlorophenyl)-N-methyl-N-[(2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride |
| InChI | InChI=1S/C19H26Cl2N2O.ClH/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H/t17?,18-;/m1./s1 |
| InChI Key | KGMMGVIYOHGOKQ-MVFUPKDGSA-N |
| MDL Number | MFCD00211360 |
| Molecular Formula | C19H27Cl3N2O |
| Molecular Weight | 405.7895 |
| SMILES | CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl |
| Synonyms | U 50488 hydrochloride,
109620-49-7,
2-(3,4-Dichloro-phenyl)-N-methyl-N-((R)-2-pyrrolidin-1-yl-cyclohexyl)-acetamide hydrochloride (racemic),
67198-13-4,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 404.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.788g/mol |
| Monoisotopic Mass | 404.119g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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