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7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM87193

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₁H₂₅ClN₂O₄S

charge

mass

436.12236

reference

chebi:91749

InChIKey

JICJBGPOMZQUBB-UHFFFAOYSA-N

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)

SMILES

CN1c2ccccc2C(NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:91749 chebi:91749	7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid coaxil stablon tianeptine monosodium tianeptine sodium
kegg.drug:D02575 keggD:D02575	Tianeptine (INN) Stablon (TN)
hmdb:HMDB0042038	Tianeptine (3-Chloro-6-methyl-5,5-dioxo-6,11-dihydrodibenzo(c,F)(1,2)thiazepin-11-yl)-7-aminoheptanoic acid 7-({6-chloro-10-methyl-9,9-dioxo-9lambda⁶-thia-10-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl}amino)heptanoic acid Ardix brand OF tianeptine, monosodium salt Coaxil Stablon Tianeptine, (+-)-isomer Tianeptine, monosodium salt Tianeptine, monosodium salt, (+-)-isomer tianeptine
hmdb:HMDB42038 keggD:M_D02575	secondary/obsolete/fantasy identifier