Tianeptine Metabolite MC5 Methyl Ester

For research use only. Not for therapeutic Use.

  • CAT Number: R011881
  • CAS Number: 1159977-59-9
  • Molecular Formula: C20H23ClN2O4S
  • Molecular Weight: 422.924
  • Purity: ≥95%
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Catalog Number R011881
CAS Number 1159977-59-9
Synonyms

7-[(3-Chloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepin-11-yl)amino]pentanoic Acid S,S-Dioxide Methyl Ester;

Molecular Formula C20H23ClN2O4S
Purity ≥95%
Storage -20°C
IUPAC Name methyl 5-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoate
InChI InChI=1S/C20H23ClN2O4S/c1-23-17-8-4-3-7-15(17)20(22-12-6-5-9-19(24)27-2)16-11-10-14(21)13-18(16)28(23,25)26/h3-4,7-8,10-11,13,20,22H,5-6,9,12H2,1-2H3
InChIKey LMFWHCAIQATTKM-UHFFFAOYSA-N
SMILES CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCC(=O)OC

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