Cilazapril monohydrate

Base Information

• Chemical Name: Cilazapril monohydrate
• CAS No.: 92077-78-6
• Molecular Formula: C22H31N3O5.H2O
• Molecular Weight: 435.51
• European Community (EC) Number: 620-542-7
• UNII: 19KW7PI29F
• DSSTox Substance ID: DTXSID00238846
• Wikidata: Q27252108
• NCI Thesaurus Code: C76133
• Mol file: 92077-78-6.mol

Synonyms:Cilazapril;Cilazapril Anhydrous;Cilazapril Hydrate;Cilazapril Monohydrate;Cilazapril Monohydrobromide;Cilazapril, (S*)-Isomer;Cilazapril, Anhydrous;Inhibace;Ro 31 2848;Ro 31-2848;Ro 312848;Ro-31-2848;Ro312848

Chemical Property of Cilazapril monohydrate

Chemical Property:

• Vapor Pressure: 3.73E-15mmHg at 25°C
• Melting Point: 98° (dec)
• Boiling Point: 598.1 °C at 760 mmHg
• PKA: pKa1 3.3; pKa2 6.4(at 25℃)
• Flash Point: 315.5 °C
• PSA: 108.41000
• LogP: 1.79790
• Solubility.: Slightly soluble in water, freely soluble in methanol and in methylene chloride.
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 435.23693578
• Heavy Atom Count: 31
• Complexity: 608

Purity/Quality:

99% ^*data from raw suppliers

Cilazapril European Pharmacopoeia (EP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O.O
• Isomeric SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O.O
• Description: Cilazapril is a new ACE inhibitor useful in the management of mild to moderate hypertension. Orally administered cilazapril is a prodrug which is de-esterified to its active diacid metabolite cilazprilat. Compared with enalapril and captopril, cilazapril is more potent and longer lasting.
• Uses: Antihypertensive.