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Substance Name: Tianeptine hydrochloride
RN: 1159812-13-1
UNII: 2DUX8X079R
InChIKey: VALUNVMGXVWSGM-UHFFFAOYSA-N

Molecular Formula

  • C21-H25-Cl-N2-O4-S.Cl-H

Molecular Weight

  • 473.4184
 
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Names and Synonyms

Name of Substance

  • Tianeptine hydrochloride

Synonyms

  • Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, hydrochloride (1:1)
  • Tianeptine hydrochloride
  • UNII-2DUX8X079R

Registry Numbers

CAS Registry Number

  • 1159812-13-1

FDA UNII

  • 2DUX8X079R

System Generated Number

  • 1159812131

Structure Descriptors

InChI

1S/C21H25ClN2O4S.ClH/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);1H

InChIKey

VALUNVMGXVWSGM-UHFFFAOYSA-N

Smiles

Cl.CN1c2ccccc2C(NCCCCCCC(=O)O)c3ccc(Cl)cc3S1(=O)=O