Structure

InChI Key PGYPOBZJRVSMDS-UHFFFAOYSA-N
Smile CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl
InChI
InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H34Cl2N2O2
Molecular Weight 513.51
AlogP 5.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 43.78
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist PubMed PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
23.23
General disorders and administration site conditions
14.48
Gastrointestinal disorders
13.4
Psychiatric disorders
7.83
Cardiac disorders
7.61
Nervous system disorders
7.24
Investigations
3.9
Product issues
3.56
Respiratory, thoracic and mediastinal disorders
3.34
Vascular disorders
3.09
Skin and subcutaneous tissue disorders
2.82

Cross References

Resources Reference
ChEBI 6533
ChEMBL CHEMBL1707
EPA CompTox DTXSID00880006
FDA SRS 77TI35393C
Guide to Pharmacology 7215
KEGG C07080
PubChem 71420
SureChEMBL SCHEMBL15048
ZINC ZINC00537928