Spirapril hydrochlorideProduct ingredient for Spirapril

Name
Spirapril hydrochloride
Drug Entry
Spirapril

Spirapril is an ACE inhibitor antihypertensive drug used to treat hypertension. Spirapril is converted to the active spiraprilat after administration. ACE inhibitors are used primarily in treatment of hypertension and congestive heart failure.

Accession Number
DBSALT001443
Structure
Synonyms
Spirapril HCl
UNII
OCC25LM897
CAS Number
94841-17-5
Weight
Average: 503.07
Monoisotopic: 502.1362922
Chemical Formula
C22H31ClN2O5S2
InChI Key
CLDOLNORSLLQDI-OOAIBONUSA-N
InChI
InChI=1S/C22H30N2O5S2.ClH/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27;/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27);1H/t15-,17-,18-;/m0./s1
IUPAC Name
(8S)-7-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid hydrochloride
SMILES
Cl.[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(=O)OCC)C(=O)N1CC2(C[C@@]1([H])C(O)=O)SCCS2
ChemSpider
5254098
ChEMBL
CHEMBL1200831
Wikipedia
Spirapril
Predicted Properties
PropertyValueSource
Water Solubility0.0293 mg/mLALOGPS
logP1.79ALOGPS
logP1.6Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)3.62Chemaxon
pKa (Strongest Basic)5.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area95.94 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity121.94 m3·mol-1Chemaxon
Polarizability49.19 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon