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Quinapril hydrochloride structure
Quinapril hydrochloride structure

Quinapril hydrochloride

Iupac Name:(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]
-3,4-dihydro-1H-isoquinoline-3-carboxylic acid hydrochloride
CAS No.: 82586-55-8
Molecular Weight:474.97704
Modify Date.: 2022-11-10 20:03
Introduction: Quinapril hydrochloride,(S)-[(S)-N-[(S)21-carboxy3-phenylpropyl]alanyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid 1-ethyl ester hydrochloride(Acuretic), forms the diacid quinaprilate in thebody. It is more potent than captopril and equipotent to theactive form of enalapril. Quinapril hydrochloride Preparation Products And Raw materials Preparation Products View more+
1. Names and Identifiers
1.1 Name
Quinapril hydrochloride
1.2 Synonyms

(3S-(2(R*(R*)),3R*))-2-(2-((1-(Ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid monohydrochloride (3S)-2-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride (3S)-2-[(2S)-2-[[(1S)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid hydrochloride (3S)-2-[(2S)-2-{[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino}propanoyl]-1,2,3,4-tetrahydroisochinolin-3-carbonsäurehydrochlorid (3S)-2-[(2S)-2-{[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride (3S)-2-{N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride (3S)-2-{N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride (1:1) (3S)-2-{N-[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride (1:1) 2-amino>-1-oxopropyl>-1,2,3,4-tetrahydro-3-isoquinoline carboxylic acid monohydrochloride 3-Isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-, (3S)-, hydrochloride (1:1) 3-isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-, (3S)-, monohydrochloride ACCUPRIN ACCUPRO Acequin acide (3S)-2-[(2S)-2-{[(1S)-1-(éthoxycarbonyl)-3-phénylpropyl]amino}propanoyl]-1,2,3,4-tétrahydroisoquinoléine-3-carboxylique chlorhydrate Acuitel Acuprel Acupril ccupril CI-906 Conan Korec Korectic MFCD00889215 Quinapril (hydrochloride) quinapril HCl QuinaprilHydrochloride Quinazil

1.3 CAS No.
1.4 CID
1.6 Molecular Formula
C25H31ClN2O5 (isomer)
1.7 Inchi
1.8 InChkey
1.9 Canonical Smiles
1.10 Isomers Smiles
2. Properties
2.1 Melting point
120-130 °C
2.1 Boiling point
662 °C at 760 mmHg
2.1 Flash Point
354.1 °C
2.1 Precise Quality
2.1 PSA
2.1 logP
2.1 Solubility
H2O: >10mg/mL
2.2 Appearance
white crystalline solid
2.3 Storage
2.4 Chemical Properties
White Crystalline Solid
2.5 Color/Form
2.6 Water Solubility
>71.2 [ug/mL]
2.7 StorageTemp
3. Use and Manufacturing
3.1 General Description
Quinapril hydrochloride,(S)-[(S)-N-[(S)21-carboxy3-phenylpropyl]alanyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid 1-ethyl ester hydrochloride(Acuretic), forms the diacid quinaprilate in thebody. It is more potent than captopril and equipotent to theactive form of enalapril. Quinapril hydrochloride Preparation Products And Raw materials Preparation Products
3.2 Usage
Antihypertensive;Dopamine receptor agonist
4. Safety and Handling
4.1 Risk Statements
4.1 Safety Statements
4.1 Exposure Standards and Regulations
The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl quinapril hydrochloride, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
4.2 DisposalMethods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
NONH for all modes of transport
4.3 Formulations/Preparations
CI-906; PD-109452-2; Accupril; Accuprin; Accupro; Acequin; Acuitel; Korec; Quinazil
Quinaprilat /Diacid of Quinapril/
Acequide; Koretic /Mixture with Hydrochlorothiazide/
The main ingredient in the drug Accupril ... (tablets)
4.4 WGK Germany
4.4 Safety

Safety Statements: 22-24/25?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.
RTECS; NW7176000

4.5 Specification

?Quinapril hydrochloride (CAS NO.82586-55-8) is also named as (S)-2-((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, 1-ethyl ester, monohydrochloride ; 3-Isoquinolinecarboxylic acid, 2-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-, monohydrochloride, (3S-(2(R*(R*)),3R*)) ; Accupril ; Accuprin ; Accupron ; Acequin ; Acuitel ; Acuprel ; Asig ; CI906 ; Conan ; Continucor ; Ectren ; HSDB 7046 ; Hemokvin ; Korec ; Koretic ; Lidaltrin ; PD 109452-2 ; Quinapril ; Quinapril HCl ; Quinazil ; UNII-33067B3N2M?.?Quinapril hydrochloride (CAS NO.82586-55-8) is?white crystalline solid.

4.6 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 500mg/kg (500mg/kg) ? Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 740, 1995.
mouse LD50 intravenous 504mg/kg (504mg/kg) ? Angiology. Vol. 40, Pg. 335, 1989.
mouse LD50 oral 1739mg/kg (1739mg/kg) ? Angiology. Vol. 40, Pg. 335, 1989.
rat LD50 intravenous 107mg/kg (107mg/kg) ? Angiology. Vol. 40, Pg. 335, 1989.
rat LD50 oral 3541mg/kg (3541mg/kg) ? Angiology. Vol. 40, Pg. 335, 1989.


2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.


P308+P313 IF exposed or concerned: Get medical advice/ attention.


P405 Store locked up.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


7. Precursor and Product
8. Other Information
8.0 Target
8.1 体外研究

Quinapril (hydrochloride) (CI-906) is an angiotensin-converting enzyme inhibitor (ACE inhibitor) used in the treatment of hypertension and congestive heart failure. Quinapril is rapidly de-esterified after absorption to quinaprilat (the active diacid metabolite), a potent angiotensin converting enzyme (ACE) inhibitor.

8.2 Chemical Properties
White Crystalline Solid
8.3 Uses
Antihypertensive;Dopamine receptor agonist
8.4 Uses
Quinapril is an angiotensin converting enzyme (ACE) inhibitor. Antihypertensive.
8.5 Uses
Quinapril hydrochloride has been used as an angiotensin-converting enzyme (ACE) inhibitor to study its effects on renal tubular epithelial cell proliferation in human renal tubular epithelial cells. It has also been used as an ACE inhibitor to evaluate its effects on the expression of angiotensin II (AII) in patient-derived Atheroma samples.
8.6 Usage
Angiotensin-converting enzyme inhibitor
9. Computational chemical data
  • Molecular Weight: 474.97704g/mol
  • Molecular Formula: C25H31ClN2O5
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 474.1921498
  • Monoisotopic Mass: 474.1921498
  • Complexity: 648
  • Rotatable Bond Count: 10
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Topological Polar Surface Area: 95.9
  • Heavy Atom Count: 33
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 2
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11. Realated Product Infomation