Quinaprilat

CAT: 0024-sc-208193ASize: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-208193ASize:25 mg

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CAS Number

82768-85-2

Chemical Information

Quinaprilat

Quinaprilat is a dicarboxylic acid resulting from the hydrolysis of the ethyl ester group of quinapril to give the corresponding dicarboxylic acid. The active angiotensin-converting enzyme inhibitor (ACE inhibitor) of the prodrug quinapril. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, a vasodilator agent and an antihypertensive agent. It is a tertiary carboxamide, a member of isoquinolines and a dicarboxylic acid.

CAS Number	82768-85-2
PubChem CID	107994
IUPAC Name	(3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Molecular Formula	C23H26N2O5
Molecular Weight	410.5
XLogP	0.5
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	30
Formal Charge	0
Complexity	619

SMILES

C[C@@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O

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

InChIKey

FLSLEGPOVLMJMN-YSSFQJQWSA-N

Chemical Structure

2D Structure

CAS: 82768-85-2

CID: 107994

Formula: C23H26N2O5

MW: 410.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	410.5
XLogP3	0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	410.18417193
Monoisotopic Mass	410.18417193
Topological Polar Surface Area	107 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	619
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	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
sc-205829	Quinapril Hydrochloride
sc-205829A	Quinapril Hydrochloride
sc-208192	Quinapril Diketopiperazine
sc-476735	Quinapril N-Oxide
sc-476929	Quinapril Cyclohexyl Analogue
sc-219686	Quinapril-d5, Hydrochloride
sc-500227	O-Desethyl-O-isopropyl Quinapril
sc-476729	Quinapril Ethyl Ester Maleic Acid Salt

Alternative Products

Catalog	Name
HY-127026-01	Quinaprilat
T28485-01	Quinaprilat hydrate
EBC03423-01	Quinaprilat-d5
T88345-01	Quinaprilat hydrochloride
HY-127026B	Quinaprilat (hydrochloride)
HY-127026A	Quinaprilat (hydrate)
HY-127026R	Quinaprilat (Standard)

Quinaprilat

Chemical Information

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