Structure

InChI Key PPKXEPBICJTCRU-UHFFFAOYSA-N
Smile COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl
InChI
InChI=1S/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H26ClNO2
Molecular Weight 299.84
AlogP 2.63
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 32.7
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Toothache 3 D014098 ClinicalTrials
Low Back Pain 3 D017116 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials

Related Entries

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
15.38
Nervous system disorders
15.27
General disorders and administration site conditions
14.59
Injury, poisoning and procedural complications
10.98
Gastrointestinal disorders
6.38
Cardiac disorders
4.46
Respiratory, thoracic and mediastinal disorders
4.46
Vascular disorders
4.16
Musculoskeletal and connective tissue disorders
3.87
Skin and subcutaneous tissue disorders
3.43
Immune system disorders
2.7
Investigations
2.59
Metabolism and nutrition disorders
2.59

Cross References

Resources Reference
ChEBI 75725
ChEMBL CHEMBL1237065
FDA SRS 9N7R477WCK
PubChem 63013
SureChEMBL SCHEMBL405855
ZINC ZINC00000853