CHEBI:77736 - (S)-verapamil

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ChEBI Name (S)-verapamil
ChEBI ID CHEBI:77736
ChEBI ASCII Name (S)-verapamil
Definition A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H38N2O4
Net Charge 0
Average Mass 454.60160
Monoisotopic Mass 454.28316
InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m0/s1
InChIKey SGTNSNPWRIOYBX-MHZLTWQESA-N
SMILES COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
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)-verapamil (CHEBI:77736) is a 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile (CHEBI:77733)
(S)-verapamil (CHEBI:77736) is conjugate base of (S)-verapamil(1+) (CHEBI:77738)
(S)-verapamil (CHEBI:77736) is enantiomer of dexverapamil (CHEBI:77734)
Incoming verapamil (CHEBI:9948) has part (S)-verapamil (CHEBI:77736)
(S)-verapamil(1+) (CHEBI:77738) is conjugate acid of (S)-verapamil (CHEBI:77736)
dexverapamil (CHEBI:77734) is enantiomer of (S)-verapamil (CHEBI:77736)
IUPAC Name
(2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
Synonyms Sources
(−)-(S)-verapamil ChEBI
(−)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile ChEBI
(−)-verapamil ChEBI
(S)-(−)-verapamil ChEBI
Registry Number Type Source
5314473 Reaxys Registry Number Reaxys
Last Modified
18 March 2014