U-47700   Click here for help

GtoPdb Ligand ID: 9282

Synonyms: compound 1 [PMID: 2999404]
Compound class: Synthetic organic
Comment: U-47700 is a selective μ-opioid receptor agonist [2], with in vivo effects similar to other potent opioid agonists (analgesia, sedation, euphoria, constipation and respiratory depression). Illicit use and fatalities caused by U-47700 [1,3-4] has prompted action to schedule the compound or make it illegal in some jurisdictions.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 23.55
Molecular weight 328.11
XLogP 3.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(C1CCCCC1N(C(=O)c1ccc(c(c1)Cl)Cl)C)C
Isomeric SMILES CN([C@@H]1CCCC[C@H]1N(C(=O)c1ccc(c(c1)Cl)Cl)C)C
InChI InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1
InChI Key JGPNMZWFVRQNGU-HUUCEWRRSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide
Synonyms Click here for help
compound 1 [PMID: 2999404]
Database Links Click here for help
CAS Registry No. 82657-23-6 (source: PubChem)
ChEMBL Ligand CHEMBL277572
GtoPdb PubChem SID 318164801
PubChem CID 13544016
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