CHEBI:102131 - (S)-talarozole

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ChEBI Name (S)-talarozole ChEBI ID CHEBI:102131 ChEBI ASCII Name (S)-talarozole Definition An 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. 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 C21H23N5S Net Charge 0 Average Mass 377.508 Monoisotopic Mass 377.16742 InChI InChI=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 InChIKey SNFYYXUGUBUECJ-FQEVSTJZSA-N SMILES C1=C(C=CC(=C1)[C@H](C(CC)CC)N2C=NC=N2)NC=3SC4=C(N3)C=CC=C4 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing (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 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 Number Type Source 18314092 Reaxys Registry Number Reaxys Last Modified 01 April 2016