82586-55-8
Product Name:
Quinapril hydrochloride
Formula:
C25H31ClN2O5
Synonyms:
(3S)-2-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride;Quinapril hydrochloride
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Melting Point | 120-130 °C (crystals from ethyl acetatetoluene) and 119-121.5 °C (crystals from acetonitrile) |
|---|---|
| Solubility | >71.2 [ug/mL] (The mean of the results at pH 7.4) |
| Collision Cross Section | 203.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Crystals from ethyl acetate-toluene ... /with/ specific optical rotation at 23 °C for D (sodium) line = +14.5 deg (c = 1.2 in ethanol). Also reported as white crystalline solid from acetonitrile ... /with/ specific optical rotation at 25 °C for D (sodium) line = +15.4 deg (c = 2 in methanol). |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H303:Acute toxicity,oral H361:Reproductive toxicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P270:Do not eat, drink or smoke when using this product. P281:Use personal protective equipment as required. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. P403:Store in a well-ventilated place. |
COMPUTED DESCRIPTORS
| Molecular Weight | 475.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 474.1921498 g/mol |
| Monoisotopic Mass | 474.1921498 g/mol |
| Topological Polar Surface Area | 95.9 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 648 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Quinapril hydrochloride is a hydrochloride resulting from the reaction of equimolar amounts of quinapril and hydrogen chloride. A prodrug for quinaprilat hydrochloride (by hydrolysis of the ethyl ester to the corresponding carboxylic acid), it is used as an angiotensin-converting enzyme inhibitor (ACE inhibitor) for the treatment of hypertension and congestive heart failure. It has a role as an antihypertensive agent and an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor. It contains a quinapril(1+).