Structure

InChI Key WFBMIPUMYUHANP-UHFFFAOYSA-N
Smiles CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1.Cl
InChI
InChI=1S/C20H28N2O5.ClH/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2;/h5-9H,4,10-15H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H29ClN2O5
Molecular Weight 412.91
AlogP 2.0
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 7.0
Polar Surface Area 76.15
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Mu opioid receptor agonist AGONIST DailyMed

Target Conservation

Protein: Mu opioid receptor

Description: Mu-type opioid receptor

Organism : Homo sapiens

P35372 ENSG00000112038

Cross References

Resources Reference
ChEBI 32091
ChEMBL CHEMBL1201120
FDA SRS 5V444H5WIC
SureChEMBL SCHEMBL41242