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CHEBI:102131 - (S)-talarozole

ChEBI IDCHEBI:102131
ChEBI Name(S)-talarozole
Stars
ASCII Name(S)-talarozole
DefinitionAn N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine that is the (S)-enantiomer of talarozole. The racemate is used for the treatment of keratinization disorders, psoriasis and acne.
Last Modified1 April 2016
DownloadsMolfile
FormulaC21H23N5S
Net Charge0
Average Mass377.517
Monoisotopic Mass377.16742
SMILESCCC(CC)[C@@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
InChIInChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeySNFYYXUGUBUECJ-FQEVSTJZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S)-talarozole (CHEBI:102131) is a N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine (CHEBI:102167)
(S)-talarozole (CHEBI:102131) is enantiomer of (R)-talarozole (CHEBI:102030)
Incoming Relation(s)
talarozole (CHEBI:101854) has part (S)-talarozole (CHEBI:102131)
(R)-talarozole (CHEBI:102030) is enantiomer of (S)-talarozole (CHEBI:102131)
IUPAC Name 
N-{4-[(1S)-2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine
Registry NumbersSources
Reaxys:18314092Reaxys