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Trandolaprilat-[d5]

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General Information
Catalog: BLP-008223
CAS: 1356841-27-4
Molecular Formula: C22H25D5N2O5
Molecular Weight: 407.51

Chemical Structure

Description	Trandolaprilat-[d5] is the labelled analogue of Trandolaprilat, which is a metabolite of Trandolapril. Trandolapril has been found to be an ACE inhibitor and could be used as an antihypertensive agent.
Synonyms	Trandolaprilat-phenyl-d5; (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid-d5
IUPAC Name	(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-(2,3,4,5,6-pentadeuteriophenyl)propyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Related CAS	87679-71-8 (unlabelled)
Canonical SMILES	CC(C(=O)N1C2CCCCC2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O
InChI	InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16+,17-,18-,19-/m0/s1/i2D,3D,4D,7D,8D
InChI Key	AHYHTSYNOHNUSH-PPEBBQNBSA-N
Melting Point	135-138°C
Purity	95% by HPLC; 98% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere