Budiodarone tartrateProduct ingredient for Budiodarone
- Name
- Budiodarone tartrate
- Drug Entry
- Budiodarone
Budiodarone (ATI-2042) is an antiarrhythmic related to amiodarone that is currently being studied in clinical trials.
- Accession Number
- DBSALT002596
- Structure
Structure for Budiodarone tartrate (DBSALT002596)
- Synonyms
- Not Available
- UNII
- 3HV5H0W9GM
- CAS Number
- 478941-93-4
- Weight
- Average: 853.442
Monoisotopic: 853.0456 - Chemical Formula
- C31H37I2NO11
- InChI Key
- CAMFTHAPYYLIIG-LMOVPXPDSA-N
- InChI
- InChI=1S/C27H31I2NO5.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h8-11,14-15,17H,5-7,12-13,16H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t17-;/m0./s1
- IUPAC Name
- (2S)-butan-2-yl 2-(3-{4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl}-1-benzofuran-2-yl)acetate; 2,3-dihydroxybutanedioic acid
- SMILES
- OC(C(O)C(O)=O)C(O)=O.CC[C@H](C)OC(=O)CC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2
- External Links
- ChemSpider
- 28529290
- ChEMBL
- CHEMBL2105632
- Predicted Properties
Property Value Source Water Solubility 0.00553 mg/mL ALOGPS logP 7.15 ALOGPS logP 7.02 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 18.08 Chemaxon pKa (Strongest Basic) 8.47 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 68.98 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 155.82 m3·mol-1 Chemaxon Polarizability 61.43 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon