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72797-41-2

72797-41-2 structural image
Product Name: Tianeptine
Formula: C21H25ClN2O4S
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 609.2
Melting Point 148
Collision Cross Section 197 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

COMPUTED DESCRIPTORS

Molecular Weight 437.0 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 436.1223562 g/mol
Monoisotopic Mass 436.1223562 g/mol
Topological Polar Surface Area 95.1 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 654
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Tianeptine is a racemate comprising of equimolar amounts of (R)- and (S)-tianeptine. It is an atypical antidepressant used in Europe to treat patients who respond poorly to selective serotonin reuptake inhibitors (SSRIs). It has a role as a mu-opioid receptor agonist, a second generation antipsychotic and an anxiolytic drug. It contains a (R)-tianeptine and a (S)-tianeptine.