CAS 104732-22-1 appears in our catalog under these names: S 8849-1 (free base), Tianeptine Metabolite MC5, Tianeptine Metabolite MC5 (Pentanoic Acid Metabolite). Offered by: MedChemExpress, GLPBio, Chemat Brand. Available pack sizes: 10 mg, 5 mg, 1 mg, 1mg, on request, 10mg, 5mg.
5-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoic acid (CAS 104732-22-1) is a chemical compound with the molecular formula C19H21ClN2O4S-2 and a molecular weight of 408.9 g/mol. IUPAC name: 5-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoic acid. InChIKey: YYUMTPUPRWXCTH-UHFFFAOYSA-L.
| Molecular formula | C19H21ClN2O4S-2 |
|---|---|
| Molecular weight | 408.9 g/mol |
| IUPAC name | 5-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoic acid |
| InChIKey | YYUMTPUPRWXCTH-UHFFFAOYSA-L |
| SMILES | CN1C2=CC=CC=C2C(C3=C(S1([O-])[O-])C=C(C=C3)Cl)NCCCCC(=O)O |
Computed by PubChem (NCBI)