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Chemical structure of Tianeptine MC(5)

GC92000

Tianeptine MC(5)

Also listed as Tianeptine Metabolite MC5

Tianeptine metabolite MC5 is an active metabolite of the atypical antidepressant tianeptine

ChemicalCAS104732-22-1MW408.9FormulaC19H21ClN2O4S
CAS number
104732-22-1
Molecular weight
408.9
Formula
C19H21ClN2O4S
Solubility
Dichloromethane： Slightly soluble,DMSO： Slightly soluble,Methanol： Slightly soluble
InChIKey
YYUMTPUPRWXCTH-UHFFFAOYSA-L
Catalogue number
GC92000
Brand
GLPBIO
Computed properties PubChem CID 128660 · XLogP 1 · TPSA 99.7 Ų · H-bond donors 2
XLogP
1
TPSA
99.7 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
27

SMILES CN1C2=CC=CC=C2C(C3=C(S1([O-])[O-])C=C(C=C3)Cl)NCCCCC(=O)O

Computed descriptors from PubChem (CID 128660), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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