Products 1661838-94-3

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.

Structural formula: {0} (CAS {1})

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.

Identity
Molecular formulaC28H36N2O8
Molecular weight528.6 g/mol
IUPAC name2-[(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
InChIKeySSNUQDYITAZVPB-YAKUHWJSSA-N
SMILESC1C[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)