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

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ChEBI Name 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile·HCl
ChEBI ID CHEBI:140907
ChEBI ASCII Name 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile.HCl
Definition A hydrochloride resulting from the reaction of equimolar amounts of 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile and hydrogen chloride.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Ceri
Supplier Information
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Formula C18H21ClN2O3
Net Charge 0
Average Mass 348.825
Monoisotopic Mass 348.12407
InChI InChI=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
InChIKey JQVAEIIIMVMJBO-UHFFFAOYSA-N
SMILES O(C=1C(CCNCC=2C(O)=CC=CC2)=CC(OC)=C(C1)C#N)C.Cl
Roles Classification
Biological Role(s): 5-hydroxytryptamine 2A receptor agonist
An agonist at the 5-hydroxytryptamine 2A (5-HT2A) receptor.
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ChEBI Ontology
Outgoing 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 Sources
4-[2-[(2-hydroxyphenyl)methylamino]ethyl]-2,5-dimethoxybenzonitrile; hydrochloride (1:1) ChEBI
NBOH-2C-CN hydrochloride ChEBI
NBOH-2C-CN.HCl ChEBI
Registry Number Type Source
1539266-32-4 CAS Registry Number SUBMITTER
Citations Waiting for Citations Types Sources
24397362 PubMed citation SUBMITTER
31540405 PubMed citation Europe PMC
Last Modified
03 February 2020