Seclidemstat mesylateProduct ingredient for Seclidemstat
- Name
- Seclidemstat mesylate
- Drug Entry
- Seclidemstat
- Accession Number
- DBSALT003267
- Structure
Structure for Seclidemstat mesylate (DBSALT003267)
- Synonyms
- (E)-N’-(1-(5-Chloro-2-Hydroxy Phenyl)Ethylidene)-3-((4-Methyl Piperazin-1-Yl) Sulfonyl) Benzohydrazide Mesylate / BENZOIC ACID, 3-((4-METHYL-1-PIPERAZINYL)SULFONYL)-, (2E)-2-(1-(5-CHLORO-2-HYDROXYPHENYL)ETHYLIDENE)HYDRAZIDE, METHANESULFONATE (1:1) / SECLIDEMSTAT MESILATE / SP-2577 MESYLATE
- UNII
- BD6N473ZLF
- CAS Number
- 2044953-70-8
- Weight
- Average: 547.04
Monoisotopic: 546.1009693 - Chemical Formula
- C21H27ClN4O7S2
- InChI Key
- JIPBQMGGMHCGBW-CWUUNJJBSA-N
- InChI
- InChI=1S/C20H23ClN4O4S.CH4O3S/c1-14(18-13-16(21)6-7-19(18)26)22-23-20(27)15-4-3-5-17(12-15)30(28,29)25-10-8-24(2)9-11-25;1-5(2,3)4/h3-7,12-13,26H,8-11H2,1-2H3,(H,23,27);1H3,(H,2,3,4)/b22-14+;
- IUPAC Name
- N'-[(1E)-1-(5-chloro-2-hydroxyphenyl)ethylidene]-3-[(4-methylpiperazin-1-yl)sulfonyl]benzohydrazide; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CN1CCN(CC1)S(=O)(=O)C1=CC=CC(=C1)C(=O)N\N=C(/C)C1=C(O)C=CC(Cl)=C1
- External Links
- ChemSpider
- 64853659
- Predicted Properties
Property Value Source logP 2.66 Chemaxon pKa (Strongest Acidic) 9.71 Chemaxon pKa (Strongest Basic) 6.55 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 102.31 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 116.84 m3·mol-1 Chemaxon Polarizability 45.75 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon