Cilazapril monohydrateProduct ingredient for Cilazapril
- Name
- Cilazapril monohydrate
- Drug Entry
- Cilazapril
Cilazapril is an ACE inhibtor class drug used in the treatment of hypertension and heart failure. It belongs to the angiotensin-converting enzyme inhibitors (ACE inhibitors) class of drugs. It is a prodrug that is hydrolyzed after absorption to its main metabolite cilazaprilat. It is branded as Inhibace in Canada and other countries, Vascace and Dynorm in a number of European countries, among many other names. None of these varieties are available in the United States.
- Accession Number
- DBSALT001097
- Structure
Structure for Cilazapril monohydrate (DBSALT001097)
- Synonyms
- Cilazapril hydrate
- UNII
- 19KW7PI29F
- CAS Number
- 92077-78-6
- Weight
- Average: 435.521
Monoisotopic: 435.236935795 - Chemical Formula
- C22H33N3O6
- InChI Key
- JQRZBPFGBRIWSN-YOTVLOEGSA-N
- InChI
- InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1
- IUPAC Name
- (1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxo-octahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid hydrate
- SMILES
- O.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O
- External Links
- ChemSpider
- 50830
- ChEBI
- 145568
- PharmGKB
- PA164748302
- Predicted Properties
Property Value Source Water Solubility 1.06 mg/mL ALOGPS logP -0.2 ALOGPS logP -0.0079 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 3.41 Chemaxon pKa (Strongest Basic) 5.35 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 99.18 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 110.56 m3·mol-1 Chemaxon Polarizability 44.73 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 Yes Chemaxon