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CHEBI:31455 - darifenacin hydrobromide

ChEBI IDCHEBI:31455
ChEBI Namedarifenacin hydrobromide
Stars
DefinitionThe hydrobromide salt of darifenacin. A selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, it is used in the management of urinary incontinence.
Last Modified5 July 2010
DownloadsMolfile
FormulaC28H30N2O2.HBr
Net Charge0
Average Mass507.472
Monoisotopic Mass506.15689
SMILESBr.[H][C@@]1(C(C(N)=O)(c2ccccc2)c2ccccc2)CCN(CCc2ccc3c(c2)CCO3)C1
InChIInChI=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
InChIKeyUQAVIASOPREUIT-VQIWEWKSSA-N
Roles Classification
Biological Role:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Application:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
ChEBI Ontology
Outgoing Relation(s)
darifenacin hydrobromide (CHEBI:31455) has part darifenacin (CHEBI:391960)
darifenacin hydrobromide (CHEBI:31455) has role muscarinic antagonist (CHEBI:48876)
darifenacin hydrobromide (CHEBI:31455) is a hydrobromide (CHEBI:48367)
IUPAC Name 
2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide hydrobromide
Synonyms  Source
Darifenacin hydrobromideKEGG DRUG
darifenacin HBrChEBI
(S)-2-{1-(2-(2,3-dihydrobenzofuran-5-yl)ethyl)-3-pyrrolidnyl}-2,2-diphenylacetamide hydrobromideChemIDplus
Manual XrefsDatabases
D01699KEGG DRUG
DB00496DrugBank
Registry NumbersSources
Beilstein:10225902Beilstein
CAS:133099-07-7KEGG DRUG
CAS:133099-07-7ChemIDplus