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Darifenacin HBr

CAT: 0957-S3144-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S3144-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133099-07-7
Synonyms
UK-88525
Target
AChR
Applications
Neuronal Signaling
Smiles
C1CN (CC1C (C2=CC=CC=C2) (C3=CC=CC=C3) C (=O) N) CCC4=CC5=C (C=C4) OCC5.Br
Molecular Formula
C28H30N2O2.HBr
Additionnal Information
Darifenacin HBr (UK-88525) is a selective M3 muscarinic receptor antagonist with pKi of 8.9.
Storage Conditions
2 years -80 in solvent

Chemical Information

Darifenacin Hydrobromide

Darifenacin hydrobromide is the 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. It has a role as a muscarinic antagonist. It contains a darifenacin.

CAS Number133099-07-7
PubChem CID444030
IUPAC Name2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrobromide
Molecular FormulaC28H31BrN2O2
Molecular Weight507.5
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity607
SMILES
C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br
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
InChIKey
UQAVIASOPREUIT-VQIWEWKSSA-N
Chemical Structure
2D Structure
2D structure of Darifenacin Hydrobromide
CAS: 133099-07-7
CID: 444030
Formula: C28H31BrN2O2
MW: 507.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass506.15689
Monoisotopic Mass506.15689
Topological Polar Surface Area55.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity607
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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