[3H]RX821002   Click here for help

GtoPdb Ligand ID: 528

Synonyms: [3H]2-methoxyidazoxan
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 52.08
Molecular weight 234.1
XLogP 0.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC1(COc2c(O1)cccc2)C1=NCCN1
Isomeric SMILES COC1(COc2c(O1)cccc2)C1=NCCN1
InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
InChI Key HQGWKNGAKBPTBX-UHFFFAOYSA-N
References
1. Deupree JD, Hinton KA, Cerutis DR, Bylund DB. (1996)
Buffers differentially alter the binding of [3H]rauwolscine and [3H]RX821002 to the alpha-2 adrenergic receptor subtypes.
J. Pharmacol. Exp. Ther., 278 (3): 1215-27. [PMID:8819505]
2. Devedjian JC, Esclapez F, Denis-Pouxviel C, Paris H. (1994)
Further characterization of human alpha 2-adrenoceptor subtypes: [3H]RX821002 binding and definition of additional selective drugs.
Eur. J. Pharmacol., 252 (1): 43-9. [PMID:7908642]