CHEBI:90721 - N-[3-(aminomethyl)benzyl]acetamidine

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ChEBI Name N-[3-(aminomethyl)benzyl]acetamidine
ChEBI ID CHEBI:90721
ChEBI ASCII Name N-[3-(aminomethyl)benzyl]acetamidine
Definition An aralkylamine that is Nbenzylacetamidine substituted at position 3 on the benzene ring by an aminomethyl group. An inhibitor of nitric oxide synthase.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H15N3
Net Charge 0
Average Mass 177.247
Monoisotopic Mass 177.12660
InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
InChIKey RODUKNYOEVZQPR-UHFFFAOYSA-N
SMILES C(=N)(NCC1=CC(=CC=C1)CN)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC 1.14.13.39 (nitric oxide synthase) inhibitor
An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-[3-(aminomethyl)benzyl]acetamidine (CHEBI:90721) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908)
N-[3-(aminomethyl)benzyl]acetamidine (CHEBI:90721) is a aralkylamine (CHEBI:18000)
N-[3-(aminomethyl)benzyl]acetamidine (CHEBI:90721) is a carboxamidine (CHEBI:35359)
N-[3-(aminomethyl)benzyl]acetamidine (CHEBI:90721) is a primary amino compound (CHEBI:50994)
IUPAC Name
N-{[3-(aminomethyl)phenyl]methyl}ethanimidamide
Synonyms Sources
1400 W ChEBI
1400W ChEBI
W1400 ChEBI
Manual Xrefs Databases
14W PDBeChem
DB02044 DrugBank
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Registry Number Type Source
8054187 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11459438 PubMed citation Europe PMC
25619924 PubMed citation Europe PMC
26362773 PubMed citation Europe PMC
26526764 PubMed citation Europe PMC
Last Modified
07 December 2015