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Dronedarone

CAT: 0127-BUP06375-05Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-BUP06375-05Size:1 g
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CAS Number
141626-36-0
Synonyms
SR 33589
Purity
=98%
Smiles
CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(CCCC)oc2ccc(NS(C)(=O)=O)cc12

Chemical Information

Dronedarone

Dronedarone is a member of the class of 1-benzofurans used for the treatment of cardiac arrhythmias. It has a role as a xenobiotic, an anti-arrhythmia drug and an environmental contaminant. It is a sulfonamide, an aromatic ether, a member of 1-benzofurans, a tertiary amino compound and an aromatic ketone.

CAS Number141626-36-0
PubChem CID208898
IUPAC NameN-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide
Molecular FormulaC31H44N2O5S
Molecular Weight556.8
XLogP7.2
Topological Polar Surface Area97.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count39
Formal Charge0
Complexity800
SMILES
CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC
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
InChIKey
ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dronedarone
CAS: 141626-36-0
CID: 208898
Formula: C31H44N2O5S
MW: 556.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.8
XLogP37.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass556.29709368
Monoisotopic Mass556.29709368
Topological Polar Surface Area97.2 Ų
Heavy Atom Count39
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS132011-01Dronedarone
CS-T-103404Dronedarone-d9
FD22615Dronedarone hydrochloride
MBS576651Dronedarone HCl
CS-O-57069Dronedarone-d15
HY-75839-01Dronedarone (Hydrochloride)
TRC-M457840-50MGMethanesulfonate Dronedarone

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