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Metabolic Research

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Quinaprilat-[d5]

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General Information
Catalog: BLP-013081
CAS: 1279034-23-9
Molecular Formula: C23H21D5N2O5
Molecular Weight: 415.49

Chemical Structure

Description	Quinaprilat-[d5] is the labelled analogue of Quinaprilat, which is a metabolite of Quinapril. Quinapril is an angiotensin-converting enzyme (ACE) inhibitor. It can be used in the treatment of hypertension and congestive heart failure.
Synonyms	Quinaprilat d5; (3S)-2-[(2S)-2-[[(1S)-1-Carboxy-(3-phenyl-d5)propyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid; Accuprin-d5
IUPAC Name	(3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-(2,3,4,5,6-pentadeuteriophenyl)propyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Related CAS	82768-85-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@@H](C(=O)O)N[C@@H](C)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O)[2H])[2H]
Canonical SMILES	CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(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/i2D,3D,4D,7D,8D
InChI Key	FLSLEGPOVLMJMN-KKQRNKNXSA-N
Melting Point	166-168°C
Purity	>95%
Solubility	Soluble in Methanol
Appearance	Crystalline Solid
Storage	Store at 2-8°C

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