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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | cilazapril | |
| Synonyms |
cilazaprilum Inhibace Dynorm Vascase cilazapril Ro 34-2848 Cilazapril anhydrous Vascace (1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid |
|
| Definitions |
A pyridazinodiazepine resulting from the formal condensation of the carboxy group of cilazaprilat with ethanol. It is a drug used in the treatment of hypertension and heart failure. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3698 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D07699 PMID:24754013 PMID:21760854 PMID:25272892 HMDB:HMDB0015433 Drug_Central:641 PMID:28445944 PMID:31531043 DrugBank:DB01340 PMID:28334985 CAS:88768-40-5 PMID:1836986 PMID:18297254 PMID:24383331 Wikipedia:Cilazapril
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|
| definition |
A pyridazinodiazepine resulting from the formal condensation of the carboxy group of cilazaprilat with ethanol. It is a drug used in the treatment of hypertension and heart failure.
|
|
| formula |
C22H31N3O5
|
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35674 |
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| has_exact_synonym |
(1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
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|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
cilazaprilum Inhibace Dynorm Vascase cilazapril Ro 34-2848 Cilazapril anhydrous Vascace
|
|
| id |
CHEBI:3698
|
|
| in_subset | ||
| inchi |
InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1
|
|
| inchikey |
HHHKFGXWKKUNCY-FHWLQOOXSA-N
|
|
| label |
cilazapril
|
|
| mass |
417.506
|
|
| monoisotopicmass |
417.22637
|
|
| notation |
CHEBI:3698
|
|
| prefLabel |
cilazapril
|
|
| smiles |
C1CC[C@@H](C(N2N1CCC[C@H]2C(=O)O)=O)N[C@H](C(OCC)=O)CCC3=CC=CC=C3
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|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_36244 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36244 |
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