Tianeptine (sodium salt) (CRM) [A 1 mg/ml solution in methanol]

Analyte Name

Sodium Tianeptine

CAS Number

30123-17-2

Molecular Formula

C21 H24 Cl N2 O4 S . Na

Molecular Weight

458.93

Measured Value

1 mg/mL

Accurate Mass

458.1043

SMILES

[Na+].CN1c2ccccc2C(NCCCCCCC(=O)[O-])c3ccc(Cl)cc3S1(=O)=O

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-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)amino]heptanoate

Alternate CAS Number

Free acid: 72797-41-2

Storage Temperature

-20°C

Shipping Temperature

-20°C

Country of Origin

UNITED STATES

Product Format

Single Solution

Matrix

Methanol