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(±) -Darifenacin

CAT: 0804-HY-22437-01Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-22437-01Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(±) -Darifenacin is the racemate of Darifenacin. Darifenacin is a selective M3 muscarinic receptor antagonist[1].
CAS Number
133033-93-9
Product Name Alternative
(±) -UK-88525
UNSPSC
12352005
Target
MAChR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Cancer-programmed cell death
Field of Research
Cancer; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/racemic-darifenacin.html
Purity
99.43
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC(C(C1CN(CCC2=CC=C(OCC3)C3=C2)CC1)(C4=CC=CC=C4)C5=CC=CC=C5)=O
Molecular Formula
C28H30N2O2
Molecular Weight
426.56
References & Citations
[1]Hegde SS, et al. Functional role of M2 and M3 muscarinic receptors in the urinary bladder of rats in vitro and in vivo. Br J Pharmacol, 1997, 120 (8), 1409-1418.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
MAChR3

Chemical Information

(+-)-Darifenacin
CAS Number133033-93-9
PubChem CID72054
IUPAC Name2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
Molecular FormulaC28H30N2O2
Molecular Weight426.5
XLogP4.6
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity607
SMILES
C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5
InChI
InChI=1S/C28H30N2O2/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)
InChIKey
HXGBXQDTNZMWGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Darifenacin
CAS: 133033-93-9
CID: 72054
Formula: C28H30N2O2
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass426.230728204
Monoisotopic Mass426.230728204
Topological Polar Surface Area55.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity607
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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