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Dronedarone-d6 Hydrochloride

CAT: 0572-TRC-D679447-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D679447-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1329809-23-5
Synonyms
N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]methanesulfonamide-d6 Hydrochloride; SR33589-d6 Hydrochloride; Multaq-d6 Hydrochloride;
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(C([2H])([2H])N(CCCC)CCCC)C([2H])([2H])OC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C=C3)NS(=O)(=O)C)CCCC.Cl
Molecular Formula
C31H39D6ClN2O5S
Molecular Weight
599.25
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

Dronedarone-d6 Hydrochloride
CAS Number1329809-23-5
PubChem CID72734945
IUPAC NameN-[2-butyl-3-[4-[1,1,2,2,3,3-hexadeuterio-3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrochloride
Molecular FormulaC31H45ClN2O5S
Molecular Weight599.3
Topological Polar Surface Area97.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count40
Formal Charge0
Complexity800
SMILES
[2H]C([2H])(C([2H])([2H])N(CCCC)CCCC)C([2H])([2H])OC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C=C3)NS(=O)(=O)C)CCCC.Cl
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/i11D2,21D2,22D2;
InChIKey
DWKVCQXJYURSIQ-RADSTHBLSA-N
Chemical Structure
2D Structure
2D structure of Dronedarone-d6 Hydrochloride
CAS: 1329809-23-5
CID: 72734945
Formula: C31H45ClN2O5S
MW: 599.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight599.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass598.3114319
Monoisotopic Mass598.3114319
Topological Polar Surface Area97.2 Ų
Heavy Atom Count40
Formal Charge0
Complexity800
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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A11389-200Dronedarone Hydrochloride 200mg
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A11389-10Dronedarone Hydrochloride 10mg
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