| CAS Number | 1809170-71-5 |
| Catalog Number | AG01CBEG(AGN-PC-0WH63P) |
| Chemical Name | (S)-2-Acetamido-6-((1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)carbamoyl)benzoic acid |
| IUPAC Name | 2-acetamido-6-[[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]carbamoyl]benzoic acid |
| InChI | InChI=1S/C22H26N2O8S/c1-5-32-19-11-14(9-10-18(19)31-3)17(12-33(4,29)30)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(27)28/h6-11,17H,5,12H2,1-4H3,(H,23,25)(H,24,26)(H,27,28)/t17-/m1/s1 |
| InChI Key | LIFSPLXBVQQZHZ-QGZVFWFLSA-N |
| Molecular Formula | C22H26N2O8S |
| Molecular Weight | 478.5154 |
| SMILES | C(C)(=O)NC1=C(C(=O)O)C(=CC=C1)C(N[C@H](CS(=O)(=O)C)C1=CC(=C(C=C1)OC)OCC)=O |
| Synonyms | 1809170-71-5,
(S)-2-Acetamido-6-((1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl) carbamoyl)benzoic acid,
2-(Acetylamino)-6-[[[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]amino]carbonyl]-benzoic Acid,
Apremilast Impurity 01,
|
| Complexity | 797 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 478.140987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 478.5g/mol |
| Monoisotopic Mass | 478.140987g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 157Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number