Bedoradrine sulfateProduct ingredient for Bedoradrine
- Name
- Bedoradrine sulfate
- Drug Entry
- Bedoradrine
- Accession Number
- DBSALT001988
- Structure
Structure for Bedoradrine sulfate (DBSALT001988)
- Synonyms
- Bedoradrine sulfate / Bedoradrine sulphate
- External IDs
- KUR 1246 / KUR-1246 / MN 221 / MN-221
- UNII
- P875C0DV2V
- CAS Number
- 194785-31-4
- Weight
- Average: 955.13
Monoisotopic: 954.429623995 - Chemical Formula
- C48H66N4O14S
- InChI Key
- VPCOODFYDJWLHD-YMZXMBPUSA-N
- InChI
- InChI=1S/2C24H32N2O5.H2O4S/c2*1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27;1-5(2,3)4/h2*4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3;(H2,1,2,3,4)/t2*20-,23-;/m00./s1
- IUPAC Name
- bis(2-{[(7S)-7-{[(2R)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino}-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-N,N-dimethylacetamide); sulfuric acid
- SMILES
- OS(O)(=O)=O.CN(C)C(=O)COC1=CC=C2CC[C@@H](CC2=C1)NC[C@H](O)C1=CC=C(O)C(CCO)=C1.CN(C)C(=O)COC1=CC=C2CC[C@@H](CC2=C1)NC[C@H](O)C1=CC=C(O)C(CCO)=C1
- External Links
- ChemSpider
- 8138653
- ChEMBL
- CHEMBL2218893
- Predicted Properties
Property Value Source Water Solubility 0.0626 mg/mL ALOGPS logP 1.63 ALOGPS logP 0.93 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 9.34 Chemaxon pKa (Strongest Basic) 10.07 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 102.26 Å2 Chemaxon Rotatable Bond Count 18 Chemaxon Refractivity 119.93 m3·mol-1 Chemaxon Polarizability 48.19 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon