Home > Products > Inhibitors/Agonists P119 > Quinaprilat hydrate

Quinaprilat hydrate

Catalog Number: EVT-254297

CAS Number: 1435786-09-6

Molecular Formula: C23H28N2O6

Molecular Weight: 428.5 g/mol

The product is for non-human research only. Not for therapeutic or veterinary use.

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Product Introduction

Description

Quinaprilat is the active metabolite of quinapril, an angiotensin-converting enzyme inhibitor (ACE inhibitor) used in the treatment of hypertension and congestive heart failure.

Properties

CAS Number

1435786-09-6

Product Name

Quinaprilat hydrate

IUPAC Name

(3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrate

Molecular Formula

C23H28N2O6

Molecular Weight

428.5 g/mol

InChI

InChI=1S/C23H26N2O5.H2O/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);1H2/t15-,19-,20-;/m0./s1

InChI Key

OFYSYEOWQQCPEU-ZAFWUOJLSA-N

SMILES

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O.O

Synonyms

Quinaprilat; BRN 5653070; CI 928; CI-928.;(S)-2-(((S)-1-carboxy-3-phenylpropyl)-L-alanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate

Canonical SMILES

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O.O

Isomeric 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.O

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