Moexipril HydrochlorideProduct ingredient for Moexipril

Name
Moexipril Hydrochloride
Drug Entry
Moexipril

Moexipril is a non-sulfhydryl containing precursor of the active angiotensin-converting enzyme (ACE) inhibitor moexiprilat. It is used to treat high blood pressure (hypertension). It works by relaxing blood vessels, causing them to widen. Lowering high blood pressure helps prevent strokes, heart attacks and kidney problems.

Accession Number
DBSALT000504
Structure
Synonyms
Moexipril HCl
UNII
Q1UMG3UH45
CAS Number
82586-52-5
Weight
Average: 535.029
Monoisotopic: 534.213279191
Chemical Formula
C27H35ClN2O7
InChI Key
JXRAXHBVZQZSIC-JKVLGAQCSA-N
InChI
InChI=1S/C27H34N2O7.ClH/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32;/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32);1H/t17-,21-,22-;/m0./s1
IUPAC Name
(3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
SMILES
Cl.[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(=O)OCC)C(=O)N1CC2=CC(OC)=C(OC)C=C2C[C@@]1([H])C(O)=O
PubChem Compound
54889
ChemSpider
49563
ChEBI
6961
ChEMBL
CHEMBL1200534
Predicted Properties
PropertyValueSource
Water Solubility0.00585 mg/mLALOGPS
logP1.52ALOGPS
logP1.5Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)3.46Chemaxon
pKa (Strongest Basic)5.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area114.4 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity132.88 m3·mol-1Chemaxon
Polarizability53.51 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon