Structure

InChI Key RWTWIZDKEIWLKQ-DYWKTHLTSA-N
Smile CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C17H23NO.C4H6O6/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-,16+,17+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H33NO9
Molecular Weight 443.49
AlogP 3.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

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

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
20.14
Gastrointestinal disorders
13.27
Nervous system disorders
11.44
Psychiatric disorders
9.61
Skin and subcutaneous tissue disorders
8.7
Injury, poisoning and procedural complications
6.64
Cardiac disorders
5.95
Vascular disorders
4.58
Respiratory, thoracic and mediastinal disorders
3.66
Musculoskeletal and connective tissue disorders
3.43
Immune system disorders
3.2
Surgical and medical procedures
2.52

Cross References

Resources Reference
ChEMBL CHEMBL3989768
FDA SRS 04WQU6T9QI
KEGG C08014
PubChem 5462348
SureChEMBL SCHEMBL440814