Structure

InChI Key WFBMIPUMYUHANP-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 76.15
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist DailyMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 32091
ChEMBL CHEMBL1201120
EPA CompTox DTXSID50157614
FDA SRS 5V444H5WIC
SureChEMBL SCHEMBL41242