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CHEBI:140907 - 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile·HCl

ChEBI IDCHEBI:140907
ChEBI Name4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile·HCl
Stars
ASCII Name4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile.HCl
DefinitionA hydrochloride resulting from the reaction of equimolar amounts of 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile and hydrogen chloride.
Last Modified3 February 2020
SubmitterCeri
DownloadsMolfile
FormulaC18H20N2O3.HCl
Net Charge0
Average Mass348.830
Monoisotopic Mass348.12407
SMILESCOc1cc(CCNCc2ccccc2O)c(OC)cc1C#N.Cl
InChIInChI=1S/C18H20N2O3.ClH/c1-22-17-10-15(11-19)18(23-2)9-13(17)7-8-20-12-14-5-3-4-6-16(14)21;/h3-6,9-10,20-21H,7-8,12H2,1-2H3;1H
InChIKeyJQVAEIIIMVMJBO-UHFFFAOYSA-N
Roles Classification
Biological Role:
5-hydroxytryptamine 2A receptor agonist  An agonist at the 5-hydroxytryptamine 2A (5-HT2A) receptor.
ChEBI Ontology
Outgoing Relation(s)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile·HCl (CHEBI:140907) has part 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile(1+) (CHEBI:145983)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile·HCl (CHEBI:140907) has role 5-hydroxytryptamine 2A receptor agonist (CHEBI:145982)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile·HCl (CHEBI:140907) is a hydrochloride (CHEBI:36807)
IUPAC Name 
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile hydrochloride
Synonyms  Source
NBOH-2C-CN.HClChEBI
4-[2-[(2-hydroxyphenyl)methylamino]ethyl]-2,5-dimethoxybenzonitrile; hydrochloride (1:1)ChEBI
NBOH-2C-CN hydrochlorideChEBI
Registry NumbersSources
CAS:1539266-32-4SUBMITTER
Citations