Structure

InChI Key RGPDIGOSVORSAK-STHHAXOLSA-N
Smile C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl
InChI
InChI=1S/C19H21NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,14,17,21,23H,1,5-10H2;1H/t14-,17+,18+,19-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22ClNO4
Molecular Weight 363.84
AlogP 1.3
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 70.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Opioid receptors; mu/kappa/delta antagonist PubMed FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Constipation 3 D003248 ClinicalTrials
Intestinal Obstruction 3 D007415 ClinicalTrials
Gambling 2 D005715 ClinicalTrials
Opioid-Related Disorders 1 D009293 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
20.96
Psychiatric disorders
19.87
Nervous system disorders
15.11
Injury, poisoning and procedural complications
11.0
Gastrointestinal disorders
8.68
Cardiac disorders
4.89
Respiratory, thoracic and mediastinal disorders
4.82
Vascular disorders
3.92
Investigations
2.12
Musculoskeletal and connective tissue disorders
2.12

Cross References

Resources Reference
ChEBI 31892
ChEMBL CHEMBL1718
FDA SRS F850569PQR
PubChem 5464092
SureChEMBL SCHEMBL41390