Structure

InChI Key CXYRUNPLKGGUJF-RAFJPFSSSA-M
Smiles C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.[Br-]
InChI
InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24BrNO4
Molecular Weight 398.3
AlogP 1.06
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 59.06
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

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

Target Conservation

Protein: Muscarinic acetylcholine receptor M1

Description: Muscarinic acetylcholine receptor M1

Organism : Homo sapiens

P11229 ENSG00000168539
Protein: Muscarinic acetylcholine receptor M3

Description: Muscarinic acetylcholine receptor M3

Organism : Homo sapiens

P20309 ENSG00000133019

Cross References

Resources Reference
CAS NUMBER 155-41-9
ChEBI 61276
ChEMBL CHEMBL1354199
DrugBank DB00462
FDA SRS RTN51LK7WL
Guide to Pharmacology 317
SureChEMBL SCHEMBL152483
ZINC ZINC13125932