Cudetaxestat sodiumProduct ingredient for Cudetaxestat
- Name
- Cudetaxestat sodium
- Drug Entry
- Cudetaxestat
- Accession Number
- DBSALT003442
- Structure
Structure for Cudetaxestat sodium (DBSALT003442)
- Synonyms
- BENZOIC ACID, 3-((2,6-DICHLORO-7-FLUORO-1-(1-PROPYL-1H-PYRAZOL-4-YL)-1H-INDOL-3-YL)THIO)-2-FLUORO-, SODIUM SALT (1:1) / BLD-0409 SODIUM / PAT-409 SODIUM / SODIUM 3-((2,6-DICHLORO-7-FLUORO-1-(1-PROPYL-1H-PYRAZOL-4-YL)-1H-INDOL-3-YL)THIO)-2-FLUOROBENZOATE
- UNII
- 6FZL38CMV9
- CAS Number
- 2051449-64-8
- Weight
- Average: 504.31
Monoisotopic: 503.0049539 - Chemical Formula
- C21H14Cl2F2N3NaO2S
- InChI Key
- SQXRDXQCMONZTH-UHFFFAOYSA-M
- InChI
- InChI=1S/C21H15Cl2F2N3O2S.Na/c1-2-8-27-10-11(9-26-27)28-18-13(6-7-14(22)17(18)25)19(20(28)23)31-15-5-3-4-12(16(15)24)21(29)30;/h3-7,9-10H,2,8H2,1H3,(H,29,30);/q;+1/p-1
- IUPAC Name
- sodium 3-{[2,6-dichloro-7-fluoro-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl]sulfanyl}-2-fluorobenzoate
- SMILES
- [Na+].CCCN1C=C(C=N1)N1C(Cl)=C(SC2=C(F)C(=CC=C2)C([O-])=O)C2=C1C(F)=C(Cl)C=C2
- External Links
- Not Available
- Predicted Properties
Property Value Source logP 6.21 Chemaxon pKa (Strongest Acidic) 3.18 Chemaxon pKa (Strongest Basic) 1.31 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 62.88 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 151.14 m3·mol-1 Chemaxon Polarizability 45.41 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon