Trandolaprilat structure

Trandolaprilat

(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

Also Known As: Trandolaprilat|Trandolaprilate|Trandolaprilatum|trandolapril diacid|Trandolaprilat?|Trandolaprilat [INN]|Ethyl 4-cyanobenzoate|Trandolapril impurity E|Trandolapril EP Impurity E|Trandolapril Related Compound E|Trandolaprilate [INN-French]|Trandolaprilatum [INN-Latin]|GTPL6455|TRANDOLAPRILAT [WHO-DD]|TRANDOLAPRIL DIACID [MI]|RU 44403|EX-A4862|HY-A0116|CS-O-08347|TRANDOLAPRIL IMPURITY E [EP IMPURITY]|TRANDOLAPRIL RELATED COMPOUND E [USP-RS]|679T718|(2S,3aR,7aS)-1-((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)hexahydro-2-indolinecarboxylic acid

CAS: 83601-86-9
Molecular Formula C22H30N2O5
Molecular Weight 402.21548 g/mol
LogP 2.2948
Topological Polar Surface Area 106.94 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
Rotatable Bonds 8
Exact Mass 402.21548
Monoisotopic Mass 402.21548
Heavy Atoms 29
Complexity 737.97797

Chemical Identifiers

CAS Number 83601-86-9
SMILES C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O

Product Overview

Trandolaprilat (CAS 83601-86-9), with molecular formula C22H30N2O5 and molecular weight 402.21548 g/mol. IUPAC: (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.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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