Tianeptine

CAS Registry Number®

72797-41-2
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CAS Name

Tianeptine

Molecular Formula

C21H25ClN2O4S

Molecular Mass

436.95

Cite this Page

Tianeptine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66981-73-5 (retrieved 2024-04-24) (CAS RN: 72797-41-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H25ClN2O4S/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)

InChIKey

InChIKey=JICJBGPOMZQUBB-UHFFFAOYSA-N

SMILES

N(CCCCCCC(O)=O)C1C=2C(S(=O)(=O)N(C)C=3C1=CC=CC3)=CC(Cl)=CC2

Canonical SMILES

O=C(O)CCCCCCNC1C=2C=CC=CC2N(C)S(=O)(=O)C3=CC(Cl)=CC=C31

Other Names for this Substance

  • Heptanoic acid, 7-[(3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino]-
  • Heptanoic acid, 7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]-, S,S-dioxide, (±)-
  • Dibenzo[c,f][1,2]thiazepine, heptanoic acid deriv.
  • 7-[(3-Chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid
  • Tianeptine

Deleted or Replaced CAS Registry Numbers

66981-73-5

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