CHEBI:87693 - (S)-ranolazine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-ranolazine
ChEBI ID CHEBI:87693
ChEBI ASCII Name (S)-ranolazine
Definition An 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).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H33N3O4
Net Charge 0
Average Mass 427.537
Monoisotopic Mass 427.24711
InChI InChI=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
InChIKey XKLMZUWKNUAPSZ-FQEVSTJZSA-N
SMILES C1(=C(C=CC=C1)OC)OC[C@H](CN2CCN(CC2)CC(NC3=C(C=CC=C3C)C)=O)O
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)-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 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 Number Type Source
22597659 Reaxys Registry Number Reaxys
Last Modified
27 August 2015