Benazepril hydrochlorideProduct ingredient for Benazepril

Name
Benazepril hydrochloride
Drug Entry
Benazepril

Benazepril, brand name Lotensin, is a medication used to treat high blood pressure (hypertension), congestive heart failure, and chronic renal failure3,2. Upon cleavage of its ester group by the liver, benazepril is converted into its active form benazeprilat, a non-sulfhydryl angiotensin-converting enzyme (ACE) inhibitor1.

Accession Number
DBSALT000554
Structure
Thumb
Synonyms
Benazepril HCl
UNII
N1SN99T69T
CAS Number
86541-74-4
Weight
Average: 460.95
Monoisotopic: 460.176499755
Chemical Formula
C24H29ClN2O5
InChI Key
VPSRQEHTHIMDQM-FKLPMGAJSA-N
InChI
InChI=1S/C24H28N2O5.ClH/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28;/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28);1H/t19-,20-;/m0./s1
IUPAC Name
2-[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid hydrochloride
SMILES
Cl.[H][C@@](CCC1=CC=CC=C1)(N[C@@]1([H])CCC2=CC=CC=C2N(CC(O)=O)C1=O)C(=O)OCC
External Links
KEGG Compound
C07701
PubChem Compound
5362123
ChemSpider
4514934
ChEBI
3012
ChEMBL
CHEMBL1694
Wikipedia
Benazepril
Predicted Properties
PropertyValueSource
Water Solubility0.0105 mg/mLALOGPS
logP1.14ALOGPS
logP1.54ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)3.53ChemAxon
pKa (Strongest Basic)5.36ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area95.94 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity115.23 m3·mol-1ChemAxon
Polarizability45.28 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon