Analyte Name

(+)-Tianeptine Monosodium Salt

CAS Number

169293-32-7

Molecular Formula

C21H24ClN2NaO4S

Molecular Weight

458.93

Accurate Mass

458.1

SMILES

CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C21H25ClN2O4S.Na/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28;/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26);/q;+1/p-1

IUPAC

sodium 7-((3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino)heptanoate

Alternate CAS Number

169293-31-6-free acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat