Trandolaprilat

About This Item

Molecular Formula	C₂₂H₃₀N₂O₅
CAS Number	87679-71-8

FC-0316342

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Properties

Chemical Identifiers

IUPAC Name	(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
SMILES	CC(C(=O)N1C2CCCCC2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O
InChI Key	AHYHTSYNOHNUSH-HXFGRODQSA-N
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

Physical Properties

Boiling Point	640.5ºC at 760 mmHg
Melting Point	132-134ºC
Flash Point	341.2ºC
Density	1.247 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

341.2ºC

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.