152918-18-8
Product Name:
IB-MECA
Formula:
C18H19IN6O4
Synonyms:
1-Deoxy-1-[6-[((3-Iodophenyl)methyl)amino]-9H-purin-9-yl]-N-methyl-β-D -ribofuranuronamide;N6-(3-Iodobenzyl)adenosine-5′-N-methyluronamide
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COMPUTED DESCRIPTORS
| Molecular Weight | 510.3 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 510.05125 g/mol |
| Monoisotopic Mass | 510.05125 g/mol |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 589 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-iodobenzyl-5'-N-methylcarboxamidoadenosine is a 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. It has a role as an adenosine A3 receptor agonist. It is a member of adenosines, an organoiodine compound and a monocarboxylic acid amide. It is functionally related to an adenosine.