| CAS Number | 2092917-42-3 |
| Catalog Number | AG01EUI9(AGN-PC-3H47JE) |
| Chemical Name | (2S)-N-(2-Benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide hydrochloride synthesis grade |
| IUPAC Name | (2S)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C25H21Cl3N2O2.ClH/c26-18-9-11-22(19(14-18)24(31)17-5-2-1-3-6-17)29-25(32)23-7-4-12-30(23)15-16-8-10-20(27)21(28)13-16;/h1-3,5-6,8-11,13-14,23H,4,7,12,15H2,(H,29,32);1H/t23-;/m0./s1 |
| InChI Key | RQNZVPIIYFKDSO-BQAIUKQQSA-N |
| MDL Number | MFCD31417461 |
| Molecular Formula | C25H22Cl4N2O2 |
| Molecular Weight | 524.2664 |
| SMILES | N1(CC2C=CC(Cl)=C(Cl)C=2)CCC[C@H]1C(NC1C=CC(Cl)=CC=1C(C1C=CC=CC=1)=O)=O.Cl |
| Synonyms | (2S)-N-(2-Benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide hydrochloride,
2092917-42-3,
|
| Complexity | 657 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 524.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 524.263g/mol |
| Monoisotopic Mass | 522.044g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number