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(R) -Darifenacin

CAT: 0926-IFA09905-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-IFA09905-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133099-05-5
Smiles
C1CN (CC1C (C2=CC=CC=C2) (C3=CC=CC=C3) C (=O) N) CCC4=CC5=C (C=C4) OCC5
Molecular Formula
C28H30N2O2
Molecular Weight
426.5 g/mol
Controlled
No

Chemical Information

2-[(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CAS Number133099-05-5
PubChem CID22842821
IUPAC Name2-[(3R)-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(C[C@H]1C(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)/t25-/m0/s1
InChIKey
HXGBXQDTNZMWGS-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of 2-[(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CAS: 133099-05-5
CID: 22842821
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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