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Quinapril-[d5] Hydrochloride

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General Information
Catalog: BLP-012547
CAS: 1356020-03-5
Molecular Formula: C25H26D5ClN2O5
Molecular Weight: 480.01

Chemical Structure

Description	Quinapril-[d5] Hydrochloride is the labelled analogue of Quinapril. Quinapril is an angiotensin-converting enzyme inhibitor which can be used in the treatment of hypertension and congestive heart failure.
Synonyms	Quinapril D5 Hydrochloride
IUPAC Name	(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride
Related CAS	82586-55-8 (unlabelled) 1279029-79-6 (free base)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O)[2H])[2H].Cl
Canonical SMILES	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl
InChI	InChI=1S/C25H30N2O5.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1H/t17-,21-,22-;/m0./s1/i4D,5D,6D,9D,10D;
InChI Key	IBBLRJGOOANPTQ-GOMJJGCLSA-N
Melting Point	>112°C (dec.)
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Acetone, Methanol, Water
Appearance	White Solid
Storage	Store at -20°C, under inert atmosphere