Quinaprilat hydrateProduct ingredient for Quinaprilat
- Name
- Quinaprilat hydrate
- Drug Entry
- Quinaprilat
The active metabolite of the prodrug quinapril.
- Accession Number
- DBSALT002763
- Structure
- Synonyms
- Not Available
- UNII
- 3P66XFG826
- CAS Number
- 1435786-09-6
- Weight
- Average: 428.485
Monoisotopic: 428.19473663 - Chemical Formula
- C23H28N2O6
- InChI Key
- OFYSYEOWQQCPEU-ZAFWUOJLSA-N
- InChI
- InChI=1S/C23H26N2O5.H2O/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30;/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30);1H2/t15-,19-,20-;/m0./s1
- IUPAC Name
- (3S)-2-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate
- SMILES
- O.C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CC2=C(C[C@H]1C(O)=O)C=CC=C2
- External Links
- ChemSpider
- 32702164
- Predicted Properties
Property Value Source Water Solubility 0.0359 mg/mL ALOGPS logP 0.81 ALOGPS logP 0.3 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 3.07 Chemaxon pKa (Strongest Basic) 7.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 106.94 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 110.44 m3·mol-1 Chemaxon Polarizability 42.4 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon