Structure

InChI Key QDWJJTJNXAKQKD-UHFFFAOYSA-N
Smile Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChI
InChI=1S/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32ClNO
Molecular Weight 337.94
AlogP 4.33
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M1 antagonist ISBN PubMed PubMed Wikipedia

Metabolites

visNetwork

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
10.71
Nervous system disorders
10.71
General disorders and administration site conditions
10.0
Injury, poisoning and procedural complications
8.93
Investigations
7.5
Psychiatric disorders
7.14
Metabolism and nutrition disorders
6.79
Cardiac disorders
6.43
Vascular disorders
5.71
Infections and infestations
4.29
Musculoskeletal and connective tissue disorders
4.29
Respiratory, thoracic and mediastinal disorders
4.29
Renal and urinary disorders
3.21
Skin and subcutaneous tissue disorders
2.86
Eye disorders
2.5

Cross References

Resources Reference
ChEBI 9721
ChEMBL CHEMBL1092
EPA CompTox DTXSID8045802
FDA SRS AO61G82577
Guide to Pharmacology 7315
KEGG C07171
PubChem 66007
SureChEMBL SCHEMBL42410
ZINC ZINC00968274