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CHEBI:87693 - (S)-ranolazine

ChEBI IDCHEBI:87693
ChEBI Name(S)-ranolazine
Stars
ASCII Name(S)-ranolazine
DefinitionAn N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide that is the (S)-enantiomer of ranolazine (the racemate is a drug used for treatment of chronic angina).
Last Modified27 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC24H33N3O4
Net Charge0
Average Mass427.545
Monoisotopic Mass427.24711
SMILESCOc1ccccc1OC[C@@H](O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/t20-/m0/s1
InChIKeyXKLMZUWKNUAPSZ-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)-ranolazine (CHEBI:87693) is a N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide (CHEBI:87690)
(S)-ranolazine (CHEBI:87693) is enantiomer of (R)-ranolazine (CHEBI:87696)
Incoming Relation(s)
ranolazine (CHEBI:87681) has part (S)-ranolazine (CHEBI:87693)
(R)-ranolazine (CHEBI:87696) is enantiomer of (S)-ranolazine (CHEBI:87693)
IUPAC Name 
N-(2,6-dimethylphenyl)-2-{4-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide
Registry NumbersSources
Reaxys:22597659Reaxys