Structure

InChI Key XHILEZUETWRSHC-NRGUFEMZSA-N
Smile CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5.Cl
InChI
InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2,4,10-11,16,19H,3,5-8H2,1H3;1H/t10-,11+,16-,17-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20ClNO3
Molecular Weight 321.8
AlogP 1.63
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 49.77
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Diseases 3 D008107 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Back Pain 3 D001416 ClinicalTrials
Chronic Pain 3 D059350 ClinicalTrials
Osteoarthritis, Hip 3 D015207 ClinicalTrials
Osteoarthritis, Knee 3 D020370 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.25
Psychiatric disorders
14.24
Nervous system disorders
12.56
Injury, poisoning and procedural complications
9.11
Gastrointestinal disorders
7.58
Respiratory, thoracic and mediastinal disorders
5.0
Musculoskeletal and connective tissue disorders
4.96
Investigations
3.99
Immune system disorders
3.9
Skin and subcutaneous tissue disorders
3.73
Vascular disorders
3.44
Cardiac disorders
3.15
Metabolism and nutrition disorders
2.37
Infections and infestations
2.17

Cross References

Resources Reference
ChEBI 5791
ChEMBL CHEMBL1237055
FDA SRS L960UP2KRW
Guide to Pharmacology 7082
KEGG C07042
PubChem 5462347
SureChEMBL SCHEMBL30521
ZINC ZINC00402954