Structure

InChI Key UQAVIASOPREUIT-VQIWEWKSSA-N
Smile Br.NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
InChI
InChI=1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H31BrN2O2
Molecular Weight 507.47
AlogP 3.96
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 55.56
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M2 antagonist PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Side Effects from Label

Side effects Relative Frequency (%) Labels
Gastrointestinal disorders Dry mouth 35.3
Gastrointestinal disorders Constipation 21.3
Gastrointestinal disorders Constipation 20.9
Gastrointestinal disorders Dry mouth 20.2
Gastrointestinal disorders Dry mouth 18.7
Gastrointestinal disorders Constipation 14.8
Gastrointestinal disorders Dry mouth
Gastrointestinal disorders Dyspepsia 8.38
Gastrointestinal disorders Dry mouth
Gastrointestinal disorders Constipation
Nervous system disorders Headache 6.72
Infections and infestations Respiratory tract infection
Gastrointestinal disorders Constipation
Nervous system disorders Headache
Nervous system disorders Headache
Nervous system disorders Headache 5.09
Infections and infestations Respiratory tract infection 5.09
Infections and infestations Urinary tract infection 4.75
Infections and infestations Urinary tract infection 4.49
Gastrointestinal disorders Dyspepsia 4.48
Nervous system disorders Headache 4.45
Gastrointestinal disorders Nausea 4.1
Gastrointestinal disorders Abdominal pain 3.89
Gastrointestinal disorders Gastrointestinal pain 3.89
Infections and infestations Urinary tract infection 3.73
Infections and infestations Urinary tract infection
Musculoskeletal and connective tissue disorders Back pain
Infections and infestations Influenza 2.99
Injury, poisoning and procedural complications Injury 2.99
General disorders and administration site conditions Asthenia 2.69
Gastrointestinal disorders Dyspepsia 2.67
Gastrointestinal disorders Nausea 2.67
Gastrointestinal disorders Pharyngitis 2.67
Infections and infestations Respiratory tract infection 2.67
Gastrointestinal disorders Dyspepsia
Infections and infestations Influenza
Infections and infestations Urinary tract infection
Gastrointestinal disorders Abdominal pain 2.37
Musculoskeletal and connective tissue disorders Back pain 2.37
Gastrointestinal disorders Gastrointestinal pain 2.37
Infections and infestations Influenza
Injury, poisoning and procedural complications Injury
Gastrointestinal disorders Pharyngitis
Gastrointestinal disorders Diarrhoea 2.1
Cardiac disorders Dizziness 2.1
Eye disorders Dry eye 2.1
Infections and infestations Influenza 2.1
Infections and infestations Influenza 2.08
Gastrointestinal disorders Dyspepsia
Gastrointestinal disorders Nausea
Gastrointestinal disorders Nausea
Musculoskeletal and connective tissue disorders Back pain 1.5
Gastrointestinal disorders Nausea 1.5
General disorders and administration site conditions Asthenia 1.48
Eye disorders Dry eye 1.48
General disorders and administration site conditions Asthenia
Cardiac disorders Dizziness
Gastrointestinal disorders Constipation 1.2
Gastrointestinal disorders Pharyngitis 1.2
Gastrointestinal disorders Dry mouth 0.898
Cardiac disorders Dizziness 0.89
Gastrointestinal disorders Constipation 0.593
Gastrointestinal disorders Abdominal pain
Eye disorders Dry eye
Gastrointestinal disorders Gastrointestinal pain
Gastrointestinal disorders Constipation

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Renal and urinary disorders
15.43
General disorders and administration site conditions
14.35
Nervous system disorders
11.74
Gastrointestinal disorders
11.52
Reproductive system and breast disorders
7.17
Respiratory, thoracic and mediastinal disorders
4.78
Injury, poisoning and procedural complications
4.35
Eye disorders
3.48
Infections and infestations
3.48
Psychiatric disorders
3.48
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
3.26
Skin and subcutaneous tissue disorders
2.83
Vascular disorders
2.61
Cardiac disorders
2.39
Musculoskeletal and connective tissue disorders
2.39

Cross References

Resources Reference
ChEBI 31455
ChEMBL CHEMBL1200935
EPA CompTox DTXSID9046780
FDA SRS CR02EYQ8GV
Guide to Pharmacology 319
KEGG D03654
PubChem 444030
SureChEMBL SCHEMBL138745
ZINC ZINC01996117