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CHEBI:131347 - (S)-Bay-K-8644

ChEBI IDCHEBI:131347
ChEBI Name(S)-Bay-K-8644
Stars
ASCII Name(S)-Bay-K-8644
DefinitionA methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate in which the 4-position has (S)-configuration.
Last Modified29 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC16H15F3N2O4
Net Charge0
Average Mass356.300
Monoisotopic Mass356.09839
SMILES[H][C@]1(c2ccccc2C(F)(F)F)C(C(=O)OC)=C(C)NC(C)=C1[N+](=O)[O-]
InChIInChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3/t13-/m0/s1
InChIKeyZFLWDHHVRRZMEI-ZDUSSCGKSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-Bay-K-8644 (CHEBI:131347) is a methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate (CHEBI:131345)
(S)-Bay-K-8644 (CHEBI:131347) is enantiomer of (R)-Bay-K-8644 (CHEBI:131349)
Incoming Relation(s)
Bay-K-8644 (CHEBI:34555) has part (S)-Bay-K-8644 (CHEBI:131347)
(R)-Bay-K-8644 (CHEBI:131349) is enantiomer of (S)-Bay-K-8644 (CHEBI:131347)
IUPAC Name 
methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Synonyms  Source
(S)-BayK8644ChEBI
(S)-Bay K8644ChEBI
(−)-BayK8644ChEBI
(−)-Bay K8644ChEBI
(−)-Bay-K-8644ChEBI
Registry NumbersSources
Reaxys:7148199Reaxys