Pathogen Host Interaction Phenotype Ontology

Last uploaded: April 4, 2024
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Preferred Name

(S)-verapamil
Synonyms

(2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile

(-)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile

(-)-(S)-verapamil

(-)-verapamil

(S)-(-)-verapamil
Definitions

A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration.
ID

http://purl.obolibrary.org/obo/CHEBI_77736
charge

0
database_cross_reference

Reaxys:5314473
formula

C27H38N2O4
has_exact_synonym

(2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
has_obo_namespace

chebi_ontology
has_related_synonym

(-)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile

(-)-(S)-verapamil

(-)-verapamil

(S)-(-)-verapamil
id

CHEBI:77736
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
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
is_conjugate_base_of

http://purl.obolibrary.org/obo/CHEBI_77738
is_enantiomer_of

http://purl.obolibrary.org/obo/CHEBI_77734
label

(S)-verapamil
mass

454.60160
monoisotopicmass

454.28316
notation

CHEBI:77736
prefLabel

(S)-verapamil
smiles

COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
textual definition

A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration.
subClassOf

http://purl.obolibrary.org/obo/CHEBI_77733
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