chempirical

Amiodarone

C25H29I2NO3CAS 1951-25-3645.32 g/mol

Open in Covalent MOL file
OOIONI
Aryl halideEtherKetoneTertiary amine

Properties

Molecular formula
C25H29I2NO3
Molar mass
645.32 g/mol
Exact mass
645.0237 Da
logP
6.94Crippen estimate
Polar surface area
42.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
11

Identifiers

CAS number
1951-25-3
SMILES
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
InChIKey
IYIKLHRQXLHMJQ-UHFFFAOYSA-N
InChI
InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3

Weigh it out

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

Names and synonyms

10 names
  • Methanone, (2-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-
  • Ketone, 2-butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl
  • (2-Butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone
  • 2-Butyl-3-benzofuranyl p-[(2-diethylamino)ethoxy]-m,m-diiodophenyl ketone
  • 2-n-Butyl-3′,5′-diiodo-4′-N-diethylaminoethoxy-3-benzoylbenzofuran
  • 2-Butyl-3-[3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl]benzofuran
  • Sedacoron
  • Sedacorone
  • Ancaron
  • Amidorone

Work with Amiodarone

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

Amiodarone hydrochloride19774-82-495 % similar (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone1951-26-466 % similar 2-Butyl-3-(4-hydroxybenzoyl)benzofuran52490-15-055 % similar 2-Butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-nitrobenzofuran141645-23-046 % similar Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-, ethanedioate (1:2)500791-70-846 % similar Dronedarone141626-36-045 % similar Benzarone1477-19-641 % similar 2-(N-Butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuran141645-16-141 % similar

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

Elsewhere

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