Vadimezan sodiumProduct ingredient for Vadimezan
- Name
- Vadimezan sodium
- Drug Entry
- Vadimezan
- Accession Number
- DBSALT002001
- Structure
Structure for Vadimezan sodium (DBSALT002001)
- Synonyms
- Not Available
- UNII
- C35T92HIZM
- CAS Number
- 129095-08-5
- Weight
- Average: 304.277
Monoisotopic: 304.07115318 - Chemical Formula
- C17H13NaO4
- InChI Key
- CUHSZPRXKQDLCJ-UHFFFAOYSA-M
- InChI
- InChI=1S/C17H14O4.Na/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1
- IUPAC Name
- sodium 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate
- SMILES
- [Na+].CC1=CC=C2C(=O)C3=CC=CC(CC([O-])=O)=C3OC2=C1C
- External Links
- ChemSpider
- 9848618
- Predicted Properties
Property Value Source Water Solubility 0.0251 mg/mL ALOGPS logP 3.1 ALOGPS logP 3.62 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 3.6 Chemaxon pKa (Strongest Basic) -3.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 66.43 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 89.04 m3·mol-1 Chemaxon Polarizability 28.92 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon