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CHEBI:6503 - lisinopril dihydrate

ChEBI IDCHEBI:6503
ChEBI Namelisinopril dihydrate
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC21H31N3O5.2H2O
Net Charge0
Average Mass441.525
Monoisotopic Mass441.24750
SMILESNCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.[H]O[H].[H]O[H]
InChIInChI=1S/C21H31N3O5.2H2O/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15;;/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29);2*1H2/t16-,17-,18-;;/m0../s1
InChIKeyCZRQXSDBMCMPNJ-ZUIPZQNBSA-N
Roles Classification
Application:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
lisinopril dihydrate (CHEBI:6503) has part lisinopril (CHEBI:43755)
lisinopril dihydrate (CHEBI:6503) has role antihypertensive agent (CHEBI:35674)
lisinopril dihydrate (CHEBI:6503) is a hydrate (CHEBI:35505)
IUPAC Name 
N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline dihydrate
Synonyms  Source
Lisinopril dihydrateChemIDplus
RenacorChemIDplus
LisinoprilChemIDplus
(S)-1-(N2-(1-carboxy-3-phenylpropyl)-L-lysyl)-L-proline dihydrateChemIDplus
Manual XrefsDatabases
D00362KEGG DRUG
Registry NumbersSources
Beilstein:9460785Beilstein
CAS:83915-83-7ChemIDplus