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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | cilazapril monohydrate | |
| Synonyms |
(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 hydrate Inhibace Justor cilazapril hydrate Ro 31-2848 monohydrate cilazapril cilazapril.H2O (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--water (1/1) |
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| Definitions |
A hydrate that is the monohydrate of cilazapril. It is used for the treatment of hypertension and heart failure. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_145568 |
|
| charge |
0
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|
| database_cross_reference |
CAS:92077-78-6 PMID:1839765 DrugBank:DBSALT001097 KEGG:D01069 PMID:1836986
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|
| definition |
A hydrate that is the monohydrate of cilazapril. It is used for the treatment of hypertension and heart failure.
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|
| formula |
C22H31N3O5.H2O
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| has part | ||
| 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--water (1/1)
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| has_obo_namespace |
chebi_ontology
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| has_related_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 hydrate Inhibace Justor cilazapril hydrate Ro 31-2848 monohydrate cilazapril cilazapril.H2O
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|
| id |
CHEBI:145568
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| in_subset | ||
| inchi |
InChI=1S/C22H31N3O5.H2O/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);1H2/t17-,18-,19-;/m0./s1
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|
| inchikey |
JQRZBPFGBRIWSN-YOTVLOEGSA-N
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|
| label |
cilazapril monohydrate
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|
| mass |
435.521
|
|
| monoisotopicmass |
435.23694
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|
| notation |
CHEBI:145568
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|
| prefLabel |
cilazapril monohydrate
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|
| smiles |
C1CC[C@@H](C(N2N1CCC[C@H]2C(=O)O)=O)N[C@H](C(OCC)=O)CCC3=CC=CC=C3.O
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| treeView | ||
| subClassOf |
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