Imidapril hydrochlorideProduct ingredient for Imidapril

Name
Imidapril hydrochloride
Drug Entry
Imidapril

Imidapril has been investigated for the treatment of Kidney, Polycystic, Autosomal Dominant.

Accession Number
DBSALT002072
Structure
Synonyms
Imidapril HCl
UNII
7NSF9GG1NU
CAS Number
89396-94-1
Weight
Average: 441.91
Monoisotopic: 441.1666633
Chemical Formula
C20H28ClN3O6
InChI Key
LSLQGMMMRMDXHN-GEUPQXMHSA-N
InChI
InChI=1S/C20H27N3O6.ClH/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28;/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26);1H/t13-,15-,16-;/m0./s1
IUPAC Name
(4S)-3-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride
SMILES
Cl.[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(=O)OCC)C(=O)N1C(=O)N(C)C[C@@]1([H])C(O)=O
ChemSpider
4588648
ChEBI
31691
ChEMBL
CHEMBL3183293
Predicted Properties
PropertyValueSource
Water Solubility0.447 mg/mLALOGPS
logP0.74ALOGPS
logP-0.23Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)3.49Chemaxon
pKa (Strongest Basic)5.22Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area116.25 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity103.2 m3·mol-1Chemaxon
Polarizability42.36 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon