Structure

InChI Key RDNLAULGBSQZMP-UHFFFAOYSA-N
Smile Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
InChI
InChI=1S/C21H29NO.ClH/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30ClNO
Molecular Weight 347.93
AlogP 3.96
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 23.0

Pharmacology

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

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Metabolism and nutrition disorders
29.41
Cardiac disorders
17.65
Nervous system disorders
11.76
Psychiatric disorders
11.76
Blood and lymphatic system disorders
5.88
Hepatobiliary disorders
5.88
Injury, poisoning and procedural complications
5.88
Respiratory, thoracic and mediastinal disorders
5.88
Vascular disorders
5.88

Cross References

Resources Reference
ChEBI 59171
ChEMBL CHEMBL1201035
EPA CompTox DTXSID2047856
FDA SRS K35N76CUHF
Guide to Pharmacology 7128
KEGG C07941
PubChem 92151
SureChEMBL SCHEMBL40776