Anagrelide hydrochloride monohydrateProduct ingredient for Anagrelide
- Name
- Anagrelide hydrochloride monohydrate
- Drug Entry
- Anagrelide
Anagrelide is a platelet-reducing agent used to lower dangerously elevated platelet levels (i.e. to treat thrombocythemia) in patients with myeloproliferative neoplasms.9 It is an oral imidazoquinazoline that was first approved for use in the US in 1997.8 It appears to carry a better response rate than other thrombocythemia treatments (e.g. busulfan, hydroxyurea) and may be better tolerated.8
- Accession Number
- DBSALT003200
- Structure
Structure for Anagrelide hydrochloride monohydrate (DBSALT003200)
- Synonyms
- Anagrelide HCl hydrate / Anagrelide HCl monohydrate / Anagrelide hydrochloride / Anagrelide hydrochloride hydrate
- External IDs
- BMY-26538-01
- UNII
- YTM763Y5C8
- CAS Number
- 823178-43-4
- Weight
- Average: 310.56
Monoisotopic: 308.9838597 - Chemical Formula
- C10H10Cl3N3O2
- InChI Key
- YLFXXKJQBOJJIX-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H7Cl2N3O.ClH.H2O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;;/h1-2H,3-4H2,(H,13,14,16);1H;1H2
- IUPAC Name
- 6,7-dichloro-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-2-one hydrate hydrochloride
- SMILES
- O.Cl.ClC1=C(Cl)C2=C(C=C1)N=C1NC(=O)CN1C2
- External Links
- ChemSpider
- 15343184
- Predicted Properties
Property Value Source Water Solubility 0.279 mg/mL ALOGPS logP 1.95 ALOGPS logP 1.94 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 11.25 Chemaxon pKa (Strongest Basic) 3.62 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 44.7 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 63.25 m3·mol-1 Chemaxon Polarizability 23.61 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