Products 1216525-46-0

CAS 1216525-46-0 is the registry number for Decarboxy Tianeptine-d12 Nitrile. Offered by: TRC, MedChemExpress. Available pack sizes: 10mg, 1mg, 1 mg, 10 mg.

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

7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]-2,2,3,3,4,4,5,5,6,6,7,7-dodecadeuterioheptanenitrile (CAS 1216525-46-0) is a chemical compound with the molecular formula C21H24ClN3O2S and a molecular weight of 430.0 g/mol. IUPAC name: 7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]-2,2,3,3,4,4,5,5,6,6,7,7-dodecadeuterioheptanenitrile. InChIKey: BAZXSPFVNLBJSJ-ZARVCVOMSA-N.

Identity
Molecular formulaC21H24ClN3O2S
Molecular weight430.0 g/mol
IUPAC name7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]-2,2,3,3,4,4,5,5,6,6,7,7-dodecadeuterioheptanenitrile
InChIKeyBAZXSPFVNLBJSJ-ZARVCVOMSA-N
SMILES[2H]C([2H])(C#N)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC1C2=C(C=C(C=C2)Cl)S(=O)(=O)N(C3=CC=CC=C13)C

Computed by PubChem (NCBI)