Structure

InChI Key BCGJBQBWUGVESK-KCTCKCTRSA-N
Smile CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl
InChI
InChI=1S/C17H19NO4.ClH/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9;/h2-3,12,15,19,21H,4-8H2,1H3;1H/t12-,15+,16+,17-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20ClNO4
Molecular Weight 337.8
AlogP 0.75
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 70.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Opioid receptors; mu/kappa/delta agonist PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Chronic Pain 3 D059350 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
36.61
General disorders and administration site conditions
31.06
Psychiatric disorders
9.15
Gastrointestinal disorders
3.9
Nervous system disorders
2.68
Infections and infestations
2.3

Cross References

Resources Reference
ChEBI 7866
ChEMBL CHEMBL1200794
EPA CompTox DTXSID10189214
FDA SRS 5Y2EI94NBC
Guide to Pharmacology 7094
KEGG C08019
PubChem 5359390
SureChEMBL SCHEMBL41770
ZINC ZINC03875483