chempirical

Amiodarone hydrochloride

C25H30ClI2NO3CAS 19774-82-4681.78 g/mol

Open in Covalent MOL file
OOIONIHCl
Aryl halideEtherKetoneTertiary amine

Properties

Molecular formula
C25H30ClI2NO3
Molar mass
681.78 g/mol
Exact mass
681.0004 Da
Melting point
156 °C
logP
7.36Crippen estimate
Polar surface area
42.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
11

Identifiers

CAS number
19774-82-4
SMILES
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl
InChIKey
ITPDYQOUSLNIHG-UHFFFAOYSA-N
InChI
InChI=1S/C25H29I2NO3.ClH/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;1H

Weigh it out

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

Names and synonyms

23 names · show all
  • Methanone, (2-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-, hydrochloride (1:1)
  • Ketone, 2-butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl, hydrochloride
  • Methanone, (2-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-, hydrochloride
  • SKF 33134A
  • 2-Butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl ketone hydrochloride
  • L 3428
  • Amiodaronum hydrochloride
  • Cordarone
  • L 3428-Labaz
  • Trangorex
  • Pacerone
  • Miodaron
  • Angiodarona
  • Ritmocardyl
  • Ortacrone
  • Cordarex
  • Amiodar
  • Rythmarone
  • Cordarone X
  • Atlansil
  • Ancoron
  • Miocard
  • Nexterone

Work with Amiodarone hydrochloride

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

Amiodarone1951-25-395 % similar (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone1951-26-463 % similar 2-Butyl-3-(4-hydroxybenzoyl)benzofuran52490-15-053 % similar 2-Butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-nitrobenzofuran141645-23-045 % similar Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-, ethanedioate (1:2)500791-70-845 % similar Dronedarone141626-36-044 % similar 2-(N-Butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuran141645-16-139 % similar Benzarone1477-19-639 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook