chempirical

Darifenacin hydrobromide

C28H31BrN2O2CAS 133099-07-7507.47 g/mol

Open in Covalent MOL file
HBrNH2ONO
EtherTertiary amine

Properties

Molecular formula
C28H31BrN2O2
Molar mass
507.47 g/mol
Exact mass
506.1569 Da
logP
5.59Crippen estimate
Polar surface area
56.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
133099-07-7
SMILES
Br.N=C(O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
InChIKey
UQAVIASOPREUIT-VQIWEWKSSA-N
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

Weigh it out

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

Names and synonyms

10 names
  • 3-Pyrrolidineacetamide, 1-[2-(2,3-dihydro-5-benzofuranyl)ethyl]-α,α-diphenyl-, hydrobromide (1:1), (3S)-
  • 3-Pyrrolidineacetamide, 1-[2-(2,3-dihydro-5-benzofuranyl)ethyl]-α,α-diphenyl-, monohydrobromide, (S)-
  • 3-Pyrrolidineacetamide, 1-[2-(2,3-dihydro-5-benzofuranyl)ethyl]-α,α-diphenyl-, monohydrobromide, (3S)-
  • UK 88525-04
  • UK 88525-04 hydrobromide
  • Enablex
  • Emselex
  • (S)-3-(Carbamoyldiphenylmethyl)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]pyrrolidine hydrobromide
  • Darilong
  • 2-[(3S)-1-[2-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide

Work with Darifenacin hydrobromide

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

Darifenacin133099-04-495 % similar 2,3-Dihydro-5-benzofuranacetic acid69999-16-235 % similar 5-(2-Bromoethyl)-2,3-dihydrobenzofuran127264-14-634 % similar (S)-3-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidine L-tartrate134002-26-933 % similar Doxapram hydrochloride hydrate7081-53-031 % similar

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

Elsewhere

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