Structure

InChI Key MUZQPDBAOYKNLO-RKXJKUSZSA-N
Smile COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.Cl
InChI
InChI=1S/C18H21NO4.ClH/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;/h3-4,13,16,21H,5-9H2,1-2H3;1H/t13-,16+,17+,18-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22ClNO4
Molecular Weight 351.83
AlogP 1.05
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 59.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis, Hip 3 D015207 ClinicalTrials
Osteoarthritis, Knee 3 D020370 ClinicalTrials
Low Back Pain 3 D017116 ClinicalTrials

Related Entries

Scaffolds

UNKNOWN
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
18.94
Psychiatric disorders
17.8
Injury, poisoning and procedural complications
10.79
Nervous system disorders
10.41
Gastrointestinal disorders
9.2
Musculoskeletal and connective tissue disorders
4.47
Respiratory, thoracic and mediastinal disorders
4.09
Skin and subcutaneous tissue disorders
3.09
Cardiac disorders
2.84
Vascular disorders
2.79
Investigations
2.11

Cross References

Resources Reference
ChEBI 7859
ChEMBL CHEMBL1200890
FDA SRS C1ENJ2TE6C
KEGG C08026
PubChem 5462350
SureChEMBL SCHEMBL30095