chempirical

Darifenacin

C28H30N2O2CAS 133099-04-4426.56 g/mol

Open in Covalent MOL file
NH2ONO
EtherTertiary amine

Properties

Molecular formula
C28H30N2O2
Molar mass
426.56 g/mol
Exact mass
426.2307 Da
logP
5.01Crippen estimate
Polar surface area
56.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
133099-04-4
SMILES
N=C(O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
InChIKey
HXGBXQDTNZMWGS-RUZDIDTESA-N
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-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 3-Pyrrolidineacetamide, 1-[2-(2,3-dihydro-5-benzofuranyl)ethyl]-α,α-diphenyl-, (3S)-
  • 3-Pyrrolidineacetamide, 1-[2-(2,3-dihydro-5-benzofuranyl)ethyl]-α,α-diphenyl-, (S)-
  • (3S)-1-[2-(2,3-Dihydro-5-benzofuranyl)ethyl]-α,α-diphenyl-3-pyrrolidineacetamide
  • (S)-1-[2-(2,3-Dihydro-5-benzofuranyl)ethyl]-α,α-diphenyl-3-pyrrolidineacetamide
  • UK 88525
  • (3S)-3-(2-Amino-2-oxo-1,1-diphenylethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyrrolidine
  • (S)-3-(1-Carbamoyl-1,1-diphenylmethyl)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]pyrrolidine
  • (S)-(-)-3-(1-Carbamoyl-1,1-diphenylmethyl)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]pyrrolidine
  • (S)-2-[1-[2-(2,3-Dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl]-2,2-diphenylacetamide
  • (3S)-(1-Carbamoyl-1,1-diphenylmethyl)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]pyrrolidine
  • Vesigard
  • 2-[(3S)-1-[2-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

Work with Darifenacin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Darifenacin hydrobromide133099-07-795 % similar 2,3-Dihydro-5-benzofuranacetic acid69999-16-237 % similar 5-(2-Bromoethyl)-2,3-dihydrobenzofuran127264-14-636 % similar (S)-3-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidine L-tartrate134002-26-935 % similar Doxapram hydrochloride hydrate7081-53-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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