Ezeprogind disulfateProduct ingredient for Ezeprogind
- Name
- Ezeprogind disulfate
- Drug Entry
- Ezeprogind
- Accession Number
- DBSALT003235
- Structure
Structure for Ezeprogind disulfate (DBSALT003235)
- Synonyms
- AZP-2006 / AZP2006 / N-(3-(4-(3-(Diisobutylamino)Propyl)Piperazin-1-yl)Propyl)-1H-Benzo[D]Imidazol-2-Amine Disulphate Salt
- UNII
- 7L8UKH84T0
- CAS Number
- 1616671-13-6
- Weight
- Average: 624.81
Monoisotopic: 624.297504878 - Chemical Formula
- C25H48N6O8S2
- InChI Key
- GIYBNVHXNIZNBZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H44N6.2H2O4S/c1-21(2)19-31(20-22(3)4)14-8-13-30-17-15-29(16-18-30)12-7-11-26-25-27-23-9-5-6-10-24(23)28-25;2*1-5(2,3)4/h5-6,9-10,21-22H,7-8,11-20H2,1-4H3,(H2,26,27,28);2*(H2,1,2,3,4)
- IUPAC Name
- 3-(4-{3-[bis(2-methylpropyl)amino]propyl}piperazin-1-yl)-N-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)propan-1-amine; bis(sulfuric acid)
- SMILES
- OS(O)(=O)=O.OS(O)(=O)=O.CC(C)CN(CCCN1CCN(CCCN=C2NC3=CC=CC=C3N2)CC1)CC(C)C
- External Links
- ChemSpider
- 68006904
- Predicted Properties
Property Value Source Water Solubility 0.115 mg/mL ALOGPS logP 4.14 ALOGPS logP 3.87 Chemaxon logS -3.6 ALOGPS pKa (Strongest Basic) 10.96 Chemaxon Physiological Charge 3 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 46.14 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 136.26 m3·mol-1 Chemaxon Polarizability 53.71 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon