CAS 1661838-94-3 appears in our catalog under these names: Velagliflozin proline hydrate, Velagliflozin (proline hydrate), 99.43%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 5 mg, 25 mg, 1 mg, 100 mg, 10 mg, 50 mg.
2-[(4-cyclopropylphenyl)methyl]-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzonitrile;(2S)-pyrrolidine-2-carboxylic acid;hydrate (CAS 1661838-94-3) is a chemical compound with the molecular formula C28H36N2O8 and a molecular weight of 528.6 g/mol. IUPAC name: 2-[(4-cyclopropylphenyl)methyl]-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzonitrile;(2S)-pyrrolidine-2-carboxylic acid;hydrate. InChIKey: SSNUQDYITAZVPB-YAKUHWJSSA-N.
| Molecular formula | C28H36N2O8 |
|---|---|
| Molecular weight | 528.6 g/mol |
| IUPAC name | 2-[(4-cyclopropylphenyl)methyl]-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzonitrile;(2S)-pyrrolidine-2-carboxylic acid;hydrate |
| InChIKey | SSNUQDYITAZVPB-YAKUHWJSSA-N |
| SMILES | C1C[C@H](NC1)C(=O)O.C1CC1C2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C#N.O |
Computed by PubChem (NCBI)