DARIFENACIN HYDROBROMIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII CR02EYQ8GV
EPA CompTox DTXSID9046780
Parent Compound: DARIFENACIN

Structure

InChI Key UQAVIASOPREUIT-VQIWEWKSSA-N
Smiles Br.NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
InChI
InChI=1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H31BrN2O2
Molecular Weight 507.47
AlogP 3.96
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 55.56
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

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

Target Conservation

Protein: Muscarinic acetylcholine receptor M2
Description: Muscarinic acetylcholine receptor M2
Organism : Homo sapiens
P08172 ENSG00000181072
Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Cross References

Resources Reference
ChEBI 31455
ChEMBL CHEMBL1200935
FDA SRS CR02EYQ8GV
Guide to Pharmacology 319
KEGG D03654
PubChem 444030
SureChEMBL SCHEMBL138745
ZINC ZINC01996117
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