Zofenopril calciumProduct ingredient for Zofenopril
- Name
- Zofenopril calcium
- Drug Entry
- Zofenopril
Zofenopril is employed as both a cardioprotective and anti-hypertensive agent. It is an angiotensin-converting enzyme (ACE) inhibitor.
- Accession Number
- DBSALT002196
- Structure
Structure for Zofenopril calcium (DBSALT002196)
- Synonyms
- Zofenopril calcium salt / Zoprace
- External IDs
- SQ 26991 / SQ-26991
- UNII
- 88ZQ329PU2
- CAS Number
- 81938-43-4
- Weight
- Average: 897.16
Monoisotopic: 896.160642 - Chemical Formula
- C44H44CaN2O8S4
- InChI Key
- NSYUKKYYVFVMST-LETVYOFWSA-L
- InChI
- InChI=1S/2C22H23NO4S2.Ca/c2*1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17;/h2*2-11,15,18-19H,12-14H2,1H3,(H,25,26);/q;;+2/p-2/t2*15-,18+,19+;/m11./s1
- IUPAC Name
- calcium bis((2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylate)
- SMILES
- [Ca++].[H][C@@](C)(CSC(=O)C1=CC=CC=C1)C(=O)N1C[C@]([H])(C[C@@]1([H])C([O-])=O)SC1=CC=CC=C1.[H][C@@](C)(CSC(=O)C1=CC=CC=C1)C(=O)N1C[C@]([H])(C[C@@]1([H])C([O-])=O)SC1=CC=CC=C1
- External Links
- KEGG Drug
- D03767
- ChemSpider
- 2298307
- ChEBI
- 82600
- ChEMBL
- CHEMBL2105776
- Predicted Properties
Property Value Source Water Solubility 0.000151 mg/mL ALOGPS logP 6.56 ALOGPS logP 4.31 Chemaxon logS -6.8 ALOGPS pKa (Strongest Acidic) 3.5 Chemaxon pKa (Strongest Basic) -1.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 77.51 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 127.66 m3·mol-1 Chemaxon Polarizability 45.34 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon