dronedarone hydrochloride

dronedarone hydrochloride

CAS: 141625-93-6

Formula: C31H45ClN2O5S

SMILES: Cl[H].CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=CC=C(NS(C)(=O)=O)C=C12

IUPAC: N-(2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-yl)methanesulfonamide hydrochloride

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

Composition: C (62.77%), H (7.65%), Cl (5.98%), N (4.72%), O (13.48%), S (5.40%)

Molar Mass: 593.22

Atom Count: 85

Heavy Atom Count: 40

Properties

Properties

Common Names	dronedarone hydrochloride
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	592.2737714
Formal Charge	0
FSP3	0.52
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	DWKVCQXJYURSIQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	158.13
Topological Polar Surface Area	88.85
Polarizability	63.24
Ring Count	3
Rotatable Bond Count	17

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.85%	<7 Days	141625-93-6		$39.27-$191.68$39.27$61.71$191.68