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Substance Name: Tianeptine hemisulfate monohydrate
RN: 1224690-84-9
UNII: 4B136GSG9M
InChIKey: KVVMXNNJBVTOSX-UHFFFAOYSA-N

Molecular Formula

  • 2C21-H25-Cl-N2-O4-S.2H2-O.H2-O4-S

Molecular Weight

  • 1008.0224
 
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Names and Synonyms

Name of Substance

  • Tianeptine hemisulfate monohydrate

Synonyms

  • Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, sulfate, hydrate (2:1:2)
  • Tianeptine hemisulfate monohydrate
  • UNII-4B136GSG9M

Registry Numbers

CAS Registry Number

  • 1224690-84-9

FDA UNII

  • 4B136GSG9M

System Generated Number

  • 1224690849

Structure Descriptors

InChI

InChI=1S/2C21H25ClN2O4S.H2O4S.2H2O/c2*1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28;1-5(2,3)4;;/h2*5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26);(H2,1,2,3,4);2*1H2

InChIKey

KVVMXNNJBVTOSX-UHFFFAOYSA-N

Smiles

O.O.CN1c2ccccc2C(NCCCCCCC(=O)O)c3ccc(Cl)cc3S1(=O)=O.CN4c5ccccc5C(NCCCCCCC(=O)O)c6ccc(Cl)cc6S4(=O)=O.OS(=O)(=O)O