ChemicalBook--->CAS DataBase List--->87679-71-8

87679-71-8

87679-71-8 Structure

87679-71-8 Structure
IdentificationBack Directory
[Name]

Trandolaprilat
[CAS]

87679-71-8
[Synonyms]

RU-44404
Trandolaprilat
Trandolaprilate
Trandolaprilat Monohydrate
Trandolapril EP IMpurity E
Trandolaprilate Monohydrate
TRANDOLAPRILAT, MONOSODIUM SALT
Trandolapril Related CoMpound E
1-(2-((1-Carboxy-3-phenylpropyl)amino)-1-oxopropyl)octahydro-1H-indole-2-carboxylicacid
(2S,3aR,7aS)-1-((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)hexahydro-2-indolinecarboxylic acid
(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid
(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid Monohydrate
[Molecular Formula]

C22H30N2O5
[MDL Number]

MFCD00868270
[MOL File]

87679-71-8.mol
[Molecular Weight]

402.48
Chemical PropertiesBack Directory
[Appearance]

Pale Yellow Solid
[Melting point ]

132-134°C
[Boiling point ]

640.5±55.0 °C(Predicted)
[density ]

1.247±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
[form ]

Solid
[pka]

2.20±0.10(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical (small molecule)
[InChIKey]

AHYHTSYNOHNUSH-HXFGRODQSA-N
[SMILES]

N1(C(=O)[C@@H](N[C@H](C(O)=O)CCC2=CC=CC=C2)C)[C@]2([H])[C@]([H])(CCCC2)C[C@H]1C(O)=O
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

A labeled metabolite of Trandolapril, an antihypertensive.
[Uses]

A metabolite of Trandolapril, an antihypertensive.
[Definition]

ChEBI: Trandolaprilat is a heterobicyclic compound that is trandolapril in which the ethyl ester group has been hydrolysed to the corresponding acid group. It is the active metabolite of the prodrug trandolapril. It has a role as an antihypertensive agent, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, a drug metabolite and a human xenobiotic metabolite. It is an organic heterobicyclic compound, a dipeptide, a secondary amino compound, a tertiary carboxamide and a dicarboxylic acid.
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
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