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Budiodarone

CAT: 0931-T30607-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T30607-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
335148-45-3
Target
Sodium Channel, Others, Potassium Channel, Calcium Channel
Related Pathways
Others, Metabolism, Membrane transporter/Ion channel
Bioactivity
Budiodarone (ATI-2042) is a chemical analog of an antiarrhythmic drug and amiodarone. Budedalone is promising as an antiarrhythmic agent for the prevention of atrial fibrillation.
Smiles
C(=O)(C=1C=2C(OC1CC(O[C@H](CC)C)=O)=CC=CC2)C3=CC(I)=C(OCCN(CC)CC)C(I)=C3
Molecular Formula
C27H31I2NO5
Molecular Weight
703.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Budiodarone

Budiodarone (ATI-2042) is an antiarrhythmic related to amiodarone that is currently being studied in clinical trials.

CAS Number335148-45-3
PubChem CID9833332
IUPAC Name[(2S)-butan-2-yl] 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate
Molecular FormulaC27H31I2NO5
Molecular Weight703.3
XLogP7
Topological Polar Surface Area69
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count35
Formal Charge0
Complexity678
SMILES
CC[C@H](C)OC(=O)CC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I
InChI
InChI=1S/C27H31I2NO5/c1-5-17(4)34-24(31)16-23-25(19-10-8-9-11-22(19)35-23)26(32)18-14-20(28)27(21(29)15-18)33-13-12-30(6-2)7-3/h8-11,14-15,17H,5-7,12-13,16H2,1-4H3/t17-/m0/s1
InChIKey
ZXOSVKYCXLTVGS-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of Budiodarone
CAS: 335148-45-3
CID: 9833332
Formula: C27H31I2NO5
MW: 703.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight703.3
XLogP37
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass703.02917
Monoisotopic Mass703.02917
Topological Polar Surface Area69 Ų
Heavy Atom Count35
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5780239Budiodarone
CS-O-60145Budiodarone-d4
MBS5816616Budiodarone tartrate
CS-O-60149Budiodarone-d10
HY-14834A-01Budiodarone (tartrate)
RM-B810002-01Budiodarone Impurity 2
CS-O-65114Decarboxylated Budiodarone-d10
CS-O-60148Budiodarone ATX-10546-d10
CS-O-60146Budiodarone ATX-10546-d4

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