Rigosertib SodiumProduct ingredient for Rigosertib
- Name
- Rigosertib Sodium
- Drug Entry
- Rigosertib
Rigosertib has been used in trials studying the treatment and basic science of MDS, RAEB, Cancer, Hepatoma, and Neoplasms, among others.
- Accession Number
- DBSALT002144
- Structure
- Synonyms
- Not Available
- UNII
- 406FL5G00V
- CAS Number
- 592542-60-4
- Weight
- Average: 473.47
Monoisotopic: 473.11203219 - Chemical Formula
- C21H24NNaO8S
- InChI Key
- VLQLUZFVFXYXQE-USRGLUTNSA-M
- InChI
- InChI=1S/C21H25NO8S.Na/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24;/h5-11,22H,12-13H2,1-4H3,(H,23,24);/q;+1/p-1/b8-7+;
- IUPAC Name
- sodium 2-[(2-methoxy-5-{[(E)-2-(2,4,6-trimethoxyphenyl)ethenesulfonyl]methyl}phenyl)amino]acetate
- SMILES
- [Na+].COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(NCC([O-])=O)=C2)C(OC)=C1
- External Links
- ChemSpider
- 5293926
- ChEBI
- 145421
- ChEMBL
- CHEMBL2013119
- Predicted Properties
Property Value Source Water Solubility 0.0295 mg/mL ALOGPS logP 2.7 ALOGPS logP -0.25 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 2.27 Chemaxon pKa (Strongest Basic) 5.24 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 123.22 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 127.34 m3·mol-1 Chemaxon Polarizability 45.77 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon