Products 887588-50-3

CAS 887588-50-3 is the registry number for Tianeptine Methyl Ester. Offered by: TRC. Available pack sizes: 25mg.

Tianeptine Methyl Ester
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Methyl 7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoate (CAS 887588-50-3) is a chemical compound with the molecular formula C22H27ClN2O4S and a molecular weight of 451.0 g/mol. IUPAC name: methyl 7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoate. InChIKey: AOVSYZQNKXYQOR-UHFFFAOYSA-N.

Identity
Molecular formulaC22H27ClN2O4S
Molecular weight451.0 g/mol
IUPAC namemethyl 7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoate
InChIKeyAOVSYZQNKXYQOR-UHFFFAOYSA-N
SMILESCN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)OC

Computed by PubChem (NCBI)

Synonyms: Tianeptine Methyl Ester
Isomers (same molecular formula)
[(2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride C22H27ClN2O4S
[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride C22H27ClN2O4S
[(2R,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride C22H27ClN2O4S
[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride C22H27ClN2O4S
[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 2,2,2-trideuterioacetate;hydrochloride C22H27ClN2O4S
[(2S,3S)-2-(4-methoxyphenyl)-5-[2-[methyl(trideuteriomethyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride C22H27ClN2O4S
[(2S,3S)-2-(4-methoxyphenyl)-4-oxo-5-[1,1,2,2-tetradeuterio-2-(dimethylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride C22H27ClN2O4S