Tianeptine Metabolite MC5-d4 Sodium Salt

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Technical Information:

Product Name: Tianeptine Metabolite MC5-d4
Other Name(s):
IUPAC Name: sodium;5-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]-3,3,4,4-tetradeuteriopentanoate;
7-[(3-Chloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepin-11-yl)amino]pentanoic Acid S,S-Dioxide-d4 Sodium Salt;
CAS:  1330171-36-2, 115220-11-6
Molar Mass: 434.9
Molecular Formula: C19H20ClN2NaO4S
InChi Code: 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/i4D2,5D2;
InChIKey: GBYSEZGRQUELJJ-HGFPCDIYSA-M
Canonical SMILES: CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCC(=O)[O-].[Na+]
Formulation: A solid

Tianeptine Metabolite MC5-d4 Sodium Salt