CHEBI:190007 - (R)-tianeptine

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ChEBI Name (R)-tianeptine ChEBI ID CHEBI:190007 ChEBI ASCII Name (R)-tianeptine Definition The R-enantiomer of tianeptine. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H25ClN2O4S Net Charge 0 Average Mass 436.950 Monoisotopic Mass 436.12236 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)/t21-/m1/s1 InChIKey JICJBGPOMZQUBB-OAQYLSRUSA-N SMILES CN1C2=CC=CC=C2[C@@H](NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing (R)-tianeptine (CHEBI:190007) is a 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid (CHEBI:190008) (R)-tianeptine (CHEBI:190007) is enantiomer of (S)-tianeptine (CHEBI:190006) Incoming tianeptine (CHEBI:91749) has part (R)-tianeptine (CHEBI:190007) (S)-tianeptine (CHEBI:190006) is enantiomer of (R)-tianeptine (CHEBI:190007) IUPAC Name 7-{[(11R)-3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl]amino}heptanoic acid Citation Type Source 9175617 PubMed citation Europe PMC Last Modified 28 February 2022