CAS 1951-25-3|CAS 19774-82-4|{2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl}diethylamine hydrochloride|2-Butyl-3-benzofuranyl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodo-phenyl]-methano...

General Information

Structure

Molecular Formula

C₂₅H₃₀ClI₂NO₃

Molecular Mass

681.77254

Exact Mass

681.00036751

Charge

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

InChIKey

ITPDYQOUSLNIHG-UHFFFAOYSA-N

Canonic Smiles

CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2.Cl

Isomeric Smiles

Cl.CCCCc1c(C(=O)c2cc(I)c(OCCN(CC)CC)c(I)c2)c2c(o1)cccc2

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.7794113

LogD (pH = 7.4)

6.5344768

Log P

7.6354213

Molar Refractivity

145.0548

Polarizability

56.987408

Polar Surface Area

42.68

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

{2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl}diethylamine hydrochloride

Synonyms

2-Butyl-3-benzofuranyl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodo-phenyl]-methanone hydrochlorideAMIODARONEAmiodarone HClRythmaroneAngiodaronaMiocardCordarexTrangorex(2-Butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone HydrochlorideL 3428Amiodarone HydrochlorideCordaroneCordarone XPaceroneAmiodarRitmocardyl4-[2-(Diethylamino)ethoxy]-3,5-diiodophenyl 2-butyl-3-benzofuranyl Ketone HydrochlorideAtlansilMiodaronAmiodaronum HydrochlorideAncoronL 3428-LabazSKF 33134AOrtacrone

IUPAC Traditional name

{2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl}diethylamine hydrochloride amiodarone hydrochloride

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem CID

PubChem SID