Dronedarone

C₃₁H₄₄N₂O₅SCAS 141626-36-0556.76 g/mol

Open in Covalent MOL file

Ether Ketone Sulfonamide Tertiary amine

Properties

Molecular formula: C₃₁H₄₄N₂O₅S
Molar mass: 556.76 g/mol
Exact mass: 556.2971 Da
Melting point: 149–153 °C
logP: 7.05Crippen estimate
Polar surface area: 88.8 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 18

Hazards

Danger

H360 May damage fertility or the unborn child50% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure50% of notifiers
H400 Very toxic to aquatic life50% of notifiers
H410 Very toxic to aquatic life with long lasting effects75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P273, P280, P318, P319, P391, P405, P501

Identifiers

CAS number

141626-36-0

SMILES

CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1

InChIKey

ZQTNQVWKHCQYLQ-UHFFFAOYSA-N

InChI

InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3

Weigh it out

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

Names and synonyms

6 names

Methanesulfonamide, N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]-
N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]methanesulfonamide
SR 33589
SR 33589B
N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]benzofuran-5-yl]methanesulfonamide
N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]benzo[b]furan-5-yl]methanesulfonamide

Work with Dronedarone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dronedarone hydrochloride141625-93-6Salt

Similar compounds

(2-Butyl-5-nitrobenzofuran-3-yl)(4-(3-dibutylaminopropoxy)phenyl)methanone141645-23-068 % similar Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-, ethanedioate (1:2)500791-70-866 % similar Amiodarone1951-25-345 % similar (2-Butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone141645-16-144 % similar Amiodarone hydrochloride19774-82-444 % similar 2-Butyl-3-(4-hydroxybenzoyl)benzofuran52490-15-043 % similar Dyclonine586-60-740 % similar (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone1951-26-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook