Products 1147403-03-9

CAS 1147403-03-9 appears in our catalog under these names: Vildagliptin Impurity 87, Vildagliptin beta-D-Glucuronide, Vildagliptin O-β-D-glucuronide. Offered by: Hubei YoungXin, TRC, Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg, 1mg, 2mg, 5mg.

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

(2S,3S,4S,5R,6S)-6-[[(5S,7R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 1147403-03-9) is a chemical compound with the molecular formula C23H33N3O8 and a molecular weight of 479.5 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[[(5S,7R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: PSIDBGKCTWXOHS-BADMEQAASA-N.

Identity
Molecular formulaC23H33N3O8
Molecular weight479.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[[(5S,7R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyPSIDBGKCTWXOHS-BADMEQAASA-N
SMILESC1C[C@H](N(C1)C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C#N

Computed by PubChem (NCBI)