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CHEBI:141489 - (S)-tafenoquine

ChEBI IDCHEBI:141489
ChEBI Name(S)-tafenoquine
Stars
ASCII Name(S)-tafenoquine
DefinitionA N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine that has S configuration.
Last Modified29 August 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC24H28F3N3O3
Net Charge0
Average Mass463.500
Monoisotopic Mass463.20828
SMILESCOc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(N[C@@H](C)CCCN)c2n1
InChIInChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3/t15-/m0/s1
InChIKeyLBHLFPGPEGDCJG-HNNXBMFYSA-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)-tafenoquine (CHEBI:141489) is a N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine (CHEBI:141487)
(S)-tafenoquine (CHEBI:141489) is enantiomer of (R)-tafenoquine (CHEBI:141488)
Incoming Relation(s)
tafenoquine (CHEBI:135752) has part (S)-tafenoquine (CHEBI:141489)
(R)-tafenoquine (CHEBI:141488) is enantiomer of (S)-tafenoquine (CHEBI:141489)