Products 1330171-36-2

CAS 1330171-36-2 appears in our catalog under these names: Tianeptine Metabolite MC5-d4 Sodium Salt, >95% (HPLC), Tianeptine Metabolite MC5-d4 (sodium salt). Offered by: TRC, MedChemExpress. Available pack sizes: 10mg, 1mg, 10 mg, 1 mg.

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

Sodium 5-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]-3,3,4,4-tetradeuteriopentanoate (CAS 1330171-36-2) is a chemical compound with the molecular formula C19H20ClN2NaO4S and a molecular weight of 434.9 g/mol. IUPAC name: sodium 5-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]-3,3,4,4-tetradeuteriopentanoate. InChIKey: GBYSEZGRQUELJJ-HGFPCDIYSA-M.

Identity
Molecular formulaC19H20ClN2NaO4S
Molecular weight434.9 g/mol
IUPAC namesodium 5-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]-3,3,4,4-tetradeuteriopentanoate
InChIKeyGBYSEZGRQUELJJ-HGFPCDIYSA-M
SMILES[2H]C([2H])(CC(=O)[O-])C([2H])([2H])CNC1C2=C(C=C(C=C2)Cl)S(=O)(=O)N(C3=CC=CC=C13)C.[Na+]

Computed by PubChem (NCBI)