Endralazine mesylateProduct ingredient for Endralazine
- Name
- Endralazine mesylate
- Drug Entry
- Endralazine
- Accession Number
- DBSALT002924
- Structure
Structure for Endralazine mesylate (DBSALT002924)
- Synonyms
- Endralazine mesilate / Endralazine mesylate / Endralazine methanesulfonate
- UNII
- 333M5986I5
- CAS Number
- 65322-72-7
- Weight
- Average: 365.41
Monoisotopic: 365.115775286 - Chemical Formula
- C15H19N5O4S
- InChI Key
- HMVROCAATOPFHB-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H15N5O.CH4O3S/c15-16-13-8-11-9-19(7-6-12(11)17-18-13)14(20)10-4-2-1-3-5-10;1-5(2,3)4/h1-5,8H,6-7,9,15H2,(H,16,18);1H3,(H,2,3,4)
- IUPAC Name
- 6-benzoyl-3-hydrazinyl-5H,6H,7H,8H-pyrido[4,3-c]pyridazine; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.NNC1=CC2=C(CCN(C2)C(=O)C2=CC=CC=C2)N=N1
- External Links
- ChemSpider
- 43315
- ChEMBL
- CHEMBL1980706
- Predicted Properties
Property Value Source Water Solubility 0.562 mg/mL ALOGPS logP 1.12 ALOGPS logP 0.85 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 17.7 Chemaxon pKa (Strongest Basic) 7.79 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 84.14 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 80 m3·mol-1 Chemaxon Polarizability 28.25 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