| CAS Number | 265120-58-9 |
| Catalog Number | AG01E3YY(AGN-PC-0R2HA9) |
| Chemical Name | (S)-Ropivacaine N-Isopropyl |
| IUPAC Name | (2S)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide |
| InChI | InChI=1S/C17H26N2O/c1-12(2)19-11-6-5-10-15(19)17(20)18-16-13(3)8-7-9-14(16)4/h7-9,12,15H,5-6,10-11H2,1-4H3,(H,18,20)/t15-/m0/s1 |
| InChI Key | DLKZMUOUUWXTAZ-HNNXBMFYSA-N |
| MDL Number | MFCD28006880 |
| Molecular Formula | C17H26N2O |
| Molecular Weight | 274.4011 |
| SMILES | O=C([C@@H]1N(C(C)C)CCCC1)NC2=C(C)C=CC=C2C |
| UNII | W501U9BNWZ |
| Synonyms | UNII-W501U9BNWZ,
W501U9BNWZ,
265120-58-9,
N-(2,6-Dimethylphenyl)-1-(1-methylethyl)piperidine-2-carboxamide, (2S)-,
(S)-Ropivacaine N-Isopropyl,
Ropivacaine hydrochloride monohydrate impurity E [EP],
2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-(1-methylethyl)-, (2S)-,
(2S)-N-(2,6-Dimethylphenyl)-1-isopropylpiperidine-2-carboxamide,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.408g/mol |
| Monoisotopic Mass | 274.205g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number