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CHEBI:73286 - 3-iodobenzyl-5'-N-methylcarboxamidoadenosine

ChEBI IDCHEBI:73286
ChEBI Name3-iodobenzyl-5'-N-methylcarboxamidoadenosine
Stars
ASCII Name3-iodobenzyl-5'-N-methylcarboxamidoadenosine
DefinitionA derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group.
Last Modified5 March 2014
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC18H19IN6O4
Net Charge0
Average Mass510.292
Monoisotopic Mass510.05125
SMILESCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
InChIKeyHUJXGQILHAUCCV-MOROJQBDSA-N
Roles Classification
Biological Role:
adenosine A3 receptor agonist  An agonist at the adenosine A3 receptor.
ChEBI Ontology
Outgoing Relation(s)
3-iodobenzyl-5'-N-methylcarboxamidoadenosine (CHEBI:73286) has functional parent adenosine (CHEBI:16335)
3-iodobenzyl-5'-N-methylcarboxamidoadenosine (CHEBI:73286) has role adenosine A3 receptor agonist (CHEBI:73319)
3-iodobenzyl-5'-N-methylcarboxamidoadenosine (CHEBI:73286) is a adenosines (CHEBI:22260)
3-iodobenzyl-5'-N-methylcarboxamidoadenosine (CHEBI:73286) is a monocarboxylic acid amide (CHEBI:29347)
3-iodobenzyl-5'-N-methylcarboxamidoadenosine (CHEBI:73286) is a organoiodine compound (CHEBI:37142)
IUPAC Name 
(2S,3S,4R,5R)-5-{6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide
Synonyms  Source
IB-MECAChemIDplus
1-Deoxy-1-(6-(((3-iodophenyl)methyl)amino)-9H-purin-9-yl)-N-methyl-beta-D-ribofuranuronamideChemIDplus
CF 101ChemIDplus
N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosineChemIDplus
3-IB-MecaChemIDplus
CF-101ChemIDplus
Registry NumbersSources
Reaxys:6831623Reaxys
CAS:152918-18-8ChemIDplus
Citations