Basic information
- CAS
335148-45-3- Standard SMILES
CC[C@H](C)OC(=O)Cc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1- InChIKey
ZXOSVKYCXLTVGS-KRWDZBQOSA-N- Molecular formula
- C27H31I2NO5
- Average molar mass
- 703.3 g/mol
- Monoisotopic mass
- 703.02917
Overview
Budiodarone (ATI-2042) is an antiarrhythmic related to amiodarone that is currently being studied in clinical trials.
Names & identifiers
- Preferred name
- Budiodarone
- IUPAC
- [(2S)-butan-2-yl] 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate
- English name
- (2S)-Butan-2-yl 2-(3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl)acetate
- Molecular formula
- C27H31I2NO5
- Molecular weight
- 703.35
Names & synonyms
BUDIODARONE335148-45-3BudiodaronaF5Y53150C8DTXSID3010301422-Benzofuranacetic acid, 3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)-, (1S)-1-methylpropyl ester(2S)-BUTAN-2-YL 2-(3-[4-[2-(DIETHYLAMINO)ETHOXY]-3,5-DIIODOBENZOYL]-1-BENZOFURAN-2-YL)ACETATEbudiodaronum(2S)-butan-2-yl 2-(3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)-1-benzofuran-2-yl)acetateRefChem:570464DTXCID401515250ATI-2042
Show more names
ATI2042ATI 2042ZXOSVKYCXLTVGS-KRWDZBQOSA-N2-Benzofuranacetic acid, 3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-, (1S)-1-methylpropyl ester
Budiodarone [USAN:INN]UNII-F5Y53150C8[(2S)-butan-2-yl] 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate(2S)-Butan-2-yl2-(3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl)acetateAT1-2042(1S)-1-methylpropyl 2-(3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)benzofuran-2-Budiodarone [USAN](S)-ATI 2042
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 678
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 672.2 · 672.2±55.0 °C(Predicted)
- Density
- 1.58 · 1.580±0.06 g/cm3(Predicted)
- pka
- 9.37 · 9.37±0.25(Predicted)
- FDA UNII
- 5 Y53150C8 · F5Y53150C8
Chemistry & industry
Applications
Uses(2S)-Butan-2-yl2-(3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl)acetate (CAS# 335148-45-3) is a useful research chemical compound. It is used in methods for treating atrial fibrillation that is refractory to antiarrhythmic drugs using budiodarone and combination with anticoagulants to decrease stroke risk.
Suppliers8 total
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海珀法姆医药科技有限公司+86 18721201413 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
重庆卡兰医药有限公司[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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