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87679-37-6

87679-37-6 structural image
Product Name: Trandolapril
Formula: C24H34N2O5
Synonyms: (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid;Mavik;Trandolapril
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Colorless, crystalline solid
Melting Point 119-123 °C
Solubility Soluble in chloroform, dichloromethane, methanol
LogP 3.5
Stability/Shelf Life Stable under recommended storage conditions.
Dissociation Constants pKa values of trandolapril[Table#8435]
Collision Cross Section 203.5 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Health Hazard
GHS08
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 430.5 g/mol
XLogP3 2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 10
Exact Mass 430.24677219 g/mol
Monoisotopic Mass 430.24677219 g/mol
Topological Polar Surface Area 95.9 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 634
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Trandolapril is a heterobicylic compound that is (2S,3aR,7aS)-1-[(2S)-2-aminopropanoyl]octahydro-1H-indole-2-carboxylic acid in which the hydrogen of the amino group is substituted by a (2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl group. It is a angiotensin-converting enzyme inhibitor and a prodrug used for the treatment of hypertension. It has a role as a prodrug, an antihypertensive agent and an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor. It is a dicarboxylic acid monoester, a dipeptide, an ethyl ester, a secondary amino compound, a tertiary carboxamide and an organic heterobicyclic compound. It is functionally related to a trandolaprilat.

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