NAV

Quinaprilat

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Quinaprilat
DrugBank Accession Number
DB14217
Background

The active metabolite of the prodrug quinapril.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 410.4629
Monoisotopic: 410.184171952
Chemical Formula
C23H26N2O5
Synonyms
  • Quinaprilat
External IDs
  • CI 928
  • CI-928
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
Integrate drug-drug
interactions in your software
AbaloparatideAbaloparatide may increase the hypotensive activities of Quinaprilat.
AcebutololAcebutolol may increase the hypotensive activities of Quinaprilat.
AceclofenacThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Aceclofenac is combined with Quinaprilat.
AcemetacinThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Acemetacin is combined with Quinaprilat.
Acetylsalicylic acidThe therapeutic efficacy of Quinaprilat can be decreased when used in combination with Acetylsalicylic acid.
Food Interactions
Not Available

Products

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Product Ingredients
IngredientUNIICASInChI Key
Quinaprilat hydrate3P66XFG8261435786-09-6OFYSYEOWQQCPEU-ZAFWUOJLSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Dipeptides
Alternative Parents
N-acyl-L-alpha-amino acids / Alpha amino acid amides / Tetrahydroisoquinolines / L-alpha-amino acids / Aralkylamines / Benzene and substituted derivatives / Dicarboxylic acids and derivatives / Tertiary carboxylic acid amides / Amino acids / Dialkylamines
show 6 more
Substituents
Alpha-amino acid / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-dipeptide / Amine / Amino acid / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
34SSX5LDE5
CAS number
82768-85-2
InChI Key
FLSLEGPOVLMJMN-YSSFQJQWSA-N
InChI
InChI=1S/C23H26N2O5/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)/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
SMILES
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

References

General References
Not Available
Human Metabolome Database
HMDB0042005
ChemSpider
97106
BindingDB
50367258
RxNav
1546359
ChEBI
140296
ChEMBL
CHEMBL1733
ZINC
ZINC000004217387
Wikipedia
Quinaprilat

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0359 mg/mLALOGPS
logP0.81ALOGPS
logP0.3Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)3.07Chemaxon
pKa (Strongest Basic)7.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area106.94 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity110.44 m3·mol-1Chemaxon
Polarizability42.76 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0403-2925000000-e4de4c2b1f51a90ebc34
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xu-0858900000-77807a22c741a7540903
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0539700000-97e0616551e10460fdd8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0419000000-7f595195efca4427c9f7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00o0-0903000000-1926c7d49cb141db2ddc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001l-3922000000-06951c1b8deb18dded23
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-08gi-2900000000-9fca96fb15000eb3c87d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xu-0858900000-77807a22c741a7540903
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0539700000-97e0616551e10460fdd8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0419000000-7f595195efca4427c9f7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00o0-0903000000-1926c7d49cb141db2ddc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001l-3922000000-06951c1b8deb18dded23
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-08gi-2900000000-9fca96fb15000eb3c87d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-211.7380624
predicted
DarkChem Lite v0.1.0
[M-H]-181.51772
predicted
DeepCCS 1.0 (2019)
[M-H]-211.7380624
predicted
DarkChem Lite v0.1.0
[M-H]-181.51772
predicted
DeepCCS 1.0 (2019)
[M+H]+209.7828624
predicted
DarkChem Lite v0.1.0
[M+H]+183.91327
predicted
DeepCCS 1.0 (2019)
[M+H]+209.7828624
predicted
DarkChem Lite v0.1.0
[M+H]+183.91327
predicted
DeepCCS 1.0 (2019)
[M+Na]+209.7565624
predicted
DarkChem Lite v0.1.0
[M+Na]+189.8258
predicted
DeepCCS 1.0 (2019)
[M+Na]+209.7565624
predicted
DarkChem Lite v0.1.0
[M+Na]+189.8258
predicted
DeepCCS 1.0 (2019)

Drug created at July 04, 2018 20:59 / Updated at February 21, 2021 18:54