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Budiodarone

CAT: 0013-GTR19195276-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195276-03Size:100 mg
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Description
Budiodarone (ATI-2042) is a structural analog of the antiarrhythmic amiodarone, developed for the prevention of atrial fibrillation. It has been investigated in both in vitro electrophysiological studies and in vivo animal models for its potential to maintain sinus rhythm with an improved safety profile.
CAS Number
335148-45-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
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
Storage Conditions
-20°C
Notes
For research use only.

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
T30607-01Budiodarone
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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