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Home Other Building Blocks Dronedarone, HCl

Dronedarone, HCl

CAS No.:
141625-93-6
Catalog Number:
AG001GOO
Molecular Formula:
C31H45ClN2O5S
Molecular Weight:
593.2174
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
>99%(HPLC)
In Stock USA
United States
$47
- +
25mg
>99%(HPLC)
In Stock USA
United States
$113
- +
Product Description
Catalog Number:
AG001GOO
Chemical Name:
Dronedarone, HCl
CAS Number:
141625-93-6
Molecular Formula:
C31H45ClN2O5S
Molecular Weight:
593.2174
MDL Number:
MFCD00914940
IUPAC Name:
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
InChI Key:
DWKVCQXJYURSIQ-UHFFFAOYSA-N
SMILES:
CCCCc1oc2c(c1C(=O)c1ccc(cc1)OCCCN(CCCC)CCCC)cc(cc2)NS(=O)(=O)C.Cl
UNII:
FA36DV299Q
Properties
Complexity:
800  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.274g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
593.22g/mol
Monoisotopic Mass:
592.274g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Discovery of 1-aryloxyethyl piperazine derivatives as Kv1.5 potassium channel inhibitors (part I). European journal of medicinal chemistry 20140623
Properties