Tianeptine Metabolite MC5 Sodium Salt

For research use only. Not for therapeutic Use.

  • CAT Number: R007106
  • CAS Number: 115220-11-6
  • Molecular Formula: C19H20ClN2NaO4S
  • Molecular Weight: 430.879
  • Purity: ≥95%
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Catalog Number R007106
CAS Number 115220-11-6
Synonyms

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

Molecular Formula C19H20ClN2NaO4S
Purity ≥95%
Storage -20°C
IUPAC Name sodium;5-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoate
InChI InChI=1S/C19H21ClN2O4S.Na/c1-22-16-7-3-2-6-14(16)19(21-11-5-4-8-18(23)24)15-10-9-13(20)12-17(15)27(22,25)26;/h2-3,6-7,9-10,12,19,21H,4-5,8,11H2,1H3,(H,23,24);/q;+1/p-1
InChIKey GBYSEZGRQUELJJ-UHFFFAOYSA-M
SMILES CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCC(=O)[O-].[Na+]

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