Structure

InChI Key TWHNMSJGYKMTRB-VEIFNGETSA-N
Smile Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C22H31NO.C4H6O6/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H37NO7
Molecular Weight 475.58
AlogP 5.34
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent

Side Effects from Label

Side effects Relative Frequency (%) Labels
Gastrointestinal disorders Dry mouth 30.5
Gastrointestinal disorders Dry mouth
Gastrointestinal disorders Constipation 6.6
Nervous system disorders Headache
Gastrointestinal disorders Constipation
Nervous system disorders Headache 3.7
Cardiac disorders Chest pain 3.4
Gastrointestinal disorders Dyspepsia 3.1
Nervous system disorders Somnolence 3.0
Gastrointestinal disorders Abdominal pain 2.5
Renal and urinary disorders Dysuria 2.5
Gastrointestinal disorders Gastrointestinal pain 2.5
Infections and infestations Bronchitis 2.1
Cardiac disorders Dizziness 1.8
Ear and labyrinth disorders Vertigo 1.8
Skin and subcutaneous tissue disorders Dry skin 1.7
Gastrointestinal disorders Abdominal pain
Gastrointestinal disorders Dry mouth 1.6
Renal and urinary disorders Dysuria 1.6
Gastrointestinal disorders Gastrointestinal pain
Gastrointestinal disorders Dyspepsia
Gastrointestinal disorders Flatulence 1.3
Investigations Weight increased 1.3
General disorders and administration site conditions Asthenia 1.2
General disorders and administration site conditions Fatigue 1.2
Cardiac disorders Dizziness
Nervous system disorders Headache 1.0
Ear and labyrinth disorders Vertigo
General disorders and administration site conditions Asthenia
General disorders and administration site conditions Fatigue
Eye disorders Visual impairment 0.8
Gastrointestinal disorders Constipation 0.7
Infections and infestations Sinusitis
Infections and infestations Sinusitis 0.6
Eye disorders Visual impairment
Renal and urinary disorders Dysuria

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.65
Nervous system disorders
10.68
Gastrointestinal disorders
9.35
Injury, poisoning and procedural complications
6.75
Renal and urinary disorders
6.56
Respiratory, thoracic and mediastinal disorders
6.51
Musculoskeletal and connective tissue disorders
6.46
Psychiatric disorders
6.21
Vascular disorders
4.19
Immune system disorders
4.14
Cardiac disorders
4.04
Infections and infestations
3.84
Skin and subcutaneous tissue disorders
3.07
Investigations
2.91
Eye disorders
2.08

Cross References

Resources Reference
ChEBI 9622
ChEMBL CHEMBL1722209
FDA SRS 5T619TQR3R
KEGG C07750
PubChem 443878
SureChEMBL SCHEMBL36881
ZINC ZINC00968336