A158575
(2S,3S,4S,5R,6S)-6-(5-((R)-1-(4-Acetamido-1,3-dioxoisoindolin-2-yl)-2-(methylsulfonyl)ethyl)-2-ethoxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic Acid
| Trivial name | (2S,3S,4S,5R,6S)-6-(5-((R)-1-(4-Acetamido-1,3-dioxoisoindolin-2-yl)-2-(methylsulfonyl)ethyl)-2-ethoxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic Acid |
| Catalog Number | TRC-A158575-10MG |
| Alternative Name(s) | O-Desmethyl Apremilast Glucuronide |
| Molecular Formula | C₂₇H₃₀N₂O₁₃S |
| Inchi | InChI=1S/C27H30N2O13S/c1-4-40-17-9-8-13(10-18(17)41-27-22(33)20(31)21(32)23(42-27)26(36)37)16(11-43(3,38)39)29-24(34)14-6-5-7-15(28-12(2)30)19(14)25(29)35/h5-10,16,20-23,27,31-33H,4,11H2,1-3H3,(H,28,30)(H,36,37)/t16-,20+,21+,22-,23+,27+/m0/s1 |
| SMILES | O=C1N([C@H](C2=CC=C(OCC)C(O[C@@H]3O[C@@H](C(O)=O)[C@H](O)[C@@H](O)[C@@H]3O)=C2)CS(=O)(C)=O)C(C4=C1C(NC(C)=O)=CC=C4)=O |
| Beilstein Registry Number | NA |
| Size | 10mg |
| Supplier Page | https://www.lgcstandards.com/CA/en/p/TRC-A158575-10MG |