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Trandolaprilat Monohydrate , CAS No.951393-55-8
a metabolite of Trandolapril
Basic Description
Synonyms | Trandolaprilat Monohydrate | 951393-55-8 | Trandolaprilate (hydrate) | (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;hydrate | Trandolaprilat hydrate | Trandolaprilat (hydrate) | HY-A0116A | |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Product Description | Trandolaprilat Monohydrate is a metabolite of Trandolapril , which is an anti-hypertensive. |
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Names and 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;hydrate |
INCHI | InChI=1S/C22H30N2O5.H2O/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);1H2/t14-,16+,17-,18-,19-;/m0./s1 |
InChi Key | RCVUTQVXMHPLKS-CNTNIUBLSA-N |
Canonical SMILES | CC(C(=O)N1C2CCCCC2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O.O |
Isomeric 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.O |
PubChem CID | 45040562 |
Molecular Weight | 420.5 |
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Chemical and Physical Properties
Solubility | Soluble in DMSO and Methanol |
Melt Point(°C) | 132-134° C |
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