Recilisib sodiumProduct ingredient for Recilisib
- Name
- Recilisib sodium
- Drug Entry
- Recilisib
- Accession Number
- DBSALT003508
- Structure
Structure for Recilisib sodium (DBSALT003508)
- Synonyms
- Recilisib Na / Recilisib sodium
- External IDs
- ON 01210 sodium / ON-01210 Na
- UNII
- 1068SXU525
- CAS Number
- 922139-31-9
- Weight
- Average: 358.77
Monoisotopic: 358.004252 - Chemical Formula
- C16H12ClNaO4S
- InChI Key
- PRFBWBYKWZVQJF-RRABGKBLSA-M
- InChI
- InChI=1S/C16H13ClO4S.Na/c17-15-7-3-13(4-8-15)11-22(20,21)10-9-12-1-5-14(6-2-12)16(18)19;/h1-10H,11H2,(H,18,19);/q;+1/p-1/b10-9+;
- IUPAC Name
- sodium 4-[(1E)-2-[(4-chlorophenyl)methanesulfonyl]ethenyl]benzoate
- SMILES
- [Na+].[H]\C(=C(\[H])S(=O)(=O)CC1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C([O-])=O
- External Links
- Predicted Properties
Property Value Source logP 3.17 Chemaxon pKa (Strongest Acidic) 4.08 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 74.27 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 97.27 m3·mol-1 Chemaxon Polarizability 33.18 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