Buloxibutid sodiumProduct ingredient for Buloxibutid
- Name
- Buloxibutid sodium
- Drug Entry
- Buloxibutid
- Accession Number
- DBSALT003398
- Structure
Structure for Buloxibutid sodium (DBSALT003398)
- Synonyms
- 3-(4-(1H-IMIDAZOL-1-YLMETHYL)PHENYL)-5-(2-METHYLPROPYL)THIOPHENE-2-((N-BUTYLOXYLCARBAMATE)-SULPHONAMIDE) SODIUM SALT[Na+].CCCCOC(=O)[N-]S(=O)(=O)C1=C(C=C(CC(C)C)S1)C2=CC=C(CN3C=CN=C3)C=C2 / 3-[4-(lH-imidazol-l-ylmethyl)phenyl]-5-(2-methylpropyl) thiophene-2-[(N-butyloxylcarbamate)-sulphonamide] sodium salt / BUTYL (3-(4-((1H-IMIDAZOL-1-YL)METHYL)PHENYL)-5-ISOBUTYLTHIOPHEN-2-YL)SULFONYLCARBAMATE SODIUM SALT / C-21 SODIUM / C21 SODIUM
- UNII
- Y151F1Q61I
- CAS Number
- Not Available
- Weight
- Average: 497.6
Monoisotopic: 497.14189302 - Chemical Formula
- C23H28N3NaO4S2
- InChI Key
- ZUHAJKQDALIGJV-UHFFFAOYSA-M
- InChI
- InChI=1S/C23H29N3O4S2.Na/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26;/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27);/q;+1/p-1
- IUPAC Name
- sodium (butoxycarbonyl)[(3-{4-[(1H-imidazol-1-yl)methyl]phenyl}-5-(2-methylpropyl)thiophen-2-yl)sulfonyl]azanide
- SMILES
- [Na+].CCCCOC(=O)[N-]S(=O)(=O)C1=C(C=C(CC(C)C)S1)C1=CC=C(CN2C=CN=C2)C=C1
- External Links
- ChemSpider
- 64853812
- Predicted Properties
Property Value Source logP 4.58 Chemaxon pKa (Strongest Acidic) 4.61 Chemaxon pKa (Strongest Basic) 6.47 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 87.49 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 125.07 m3·mol-1 Chemaxon Polarizability 49.39 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon