Structure

InChI Key QMQBBUPJKANITL-MYXGOWFTSA-N
Smile CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.Cl
InChI
InChI=1S/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30ClNO2
Molecular Weight 375.94
AlogP 4.28
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 29.54
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Cardiac disorders
29.41
Immune system disorders
17.65
General disorders and administration site conditions
11.76
Injury, poisoning and procedural complications
11.76
Vascular disorders
11.76
Investigations
5.88
Psychiatric disorders
5.88
Respiratory, thoracic and mediastinal disorders
5.88

Cross References

Resources Reference
ChEBI 8498
ChEMBL CHEMBL1237104
EPA CompTox DTXSID6048913
FDA SRS CB2TL9PS0T
PubChem 15424
SureChEMBL SCHEMBL9269