Structure

InChI Key BFSMWENDZZIWPW-UHFFFAOYSA-N
Smile CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-]
InChI
InChI=1S/C23H32N2O.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H33IN2O
Molecular Weight 480.43
AlogP 4.11
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 43.09
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

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

Cross References

Resources Reference
ChEBI 6044
ChEMBL CHEMBL1200347
EPA CompTox DTXSID30221221
FDA SRS E0KNA372SZ
PubChem 6284
SureChEMBL SCHEMBL100255