chempirical

Dronedarone hydrochloride

C31H45ClN2O5SCAS 141625-93-6593.22 g/mol

Open in Covalent MOL file
ONHSOOOONHCl
EtherKetoneSulfonamideTertiary amine

Properties

Molecular formula
C31H45ClN2O5S
Molar mass
593.22 g/mol
Exact mass
592.2738 Da
logP
7.47Crippen estimate
Polar surface area
88.8 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
18

Identifiers

CAS number
141625-93-6
SMILES
CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.Cl
InChIKey
DWKVCQXJYURSIQ-UHFFFAOYSA-N
InChI
InChI=1S/C31H44N2O5S.ClH/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;1H

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Work with Dronedarone 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

Dronedarone141626-36-096 % similar 2-Butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-nitrobenzofuran141645-23-065 % similar Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-, ethanedioate (1:2)500791-70-863 % similar Amiodarone hydrochloride19774-82-447 % similar Amiodarone1951-25-344 % similar 2-(N-Butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuran141645-16-143 % similar Dyclonine536-43-642 % similar 2-Butyl-3-(4-hydroxybenzoyl)benzofuran52490-15-041 % similar

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

Elsewhere

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