Icerguastat acetateProduct ingredient for Icerguastat
- Name
- Icerguastat acetate
- Drug Entry
- Icerguastat
- Accession Number
- DBSALT003229
- Structure
Structure for Icerguastat acetate (DBSALT003229)
- Synonyms
- 2-(2-Chlorobenzylidene)hydrazinecarboximidamide acetate / acetic acid;2-[(E)-(2-chlorophenyl)methylideneamino]guanidine / IFB-088 acetate
- UNII
- JDD15DX7JF
- CAS Number
- 469866-31-7
- Weight
- Average: 256.69
Monoisotopic: 256.0727034 - Chemical Formula
- C10H13ClN4O2
- InChI Key
- WEXITTWZMLUGNU-NKPNRJPBSA-N
- InChI
- InChI=1S/C8H9ClN4.C2H4O2/c9-7-4-2-1-3-6(7)5-12-13-8(10)11;1-2(3)4/h1-5H,(H4,10,11,13);1H3,(H,3,4)/b12-5+;
- IUPAC Name
- N-[(E)-[(2-chlorophenyl)methylidene]amino]guanidine; acetic acid
- SMILES
- CC(O)=O.[H]\C(=N/NC(N)=N)C1=CC=CC=C1Cl
- External Links
- ChemSpider
- 58543341
- Predicted Properties
Property Value Source Water Solubility 0.195 mg/mL ALOGPS logP 1.18 ALOGPS logP 1.57 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 17.65 Chemaxon pKa (Strongest Basic) 8.52 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 74.26 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 74.26 m3·mol-1 Chemaxon Polarizability 19.44 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon