loading...| 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--water (1/1) cilazapril hydrate Ro 31-2848 monohydrate 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 hydrate Inhibace Justor cilazapril |
|
| Definitions |
A hydrate that is the monohydrate of cilazapril. It is used for the treatment of hypertension and heart failure. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_145568 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:1839765 DrugBank:DBSALT001097 PMID:1836986 CAS:92077-78-6 KEGG:D01069 |
|
| definition |
A hydrate that is the monohydrate of cilazapril. It is used for the treatment of hypertension and heart failure. |
|
| formula |
C22H31N3O5.H2O |
|
| has part | ||
| 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) |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
cilazapril hydrate Ro 31-2848 monohydrate 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 hydrate Inhibace Justor cilazapril |
|
| id |
CHEBI:145568 |
|
| 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 |
|
| inchikey |
JQRZBPFGBRIWSN-YOTVLOEGSA-N |
|
| label |
cilazapril monohydrate |
|
| mass |
435.521 |
|
| monoisotopicmass |
435.23694 |
|
| notation |
CHEBI:145568 |
|
| prefLabel |
cilazapril monohydrate |
|
| RO_0000087 | ||
| smiles |
C1CC[C@@H](C(N2N1CCC[C@H]2C(=O)O)=O)N[C@H](C(OCC)=O)CCC3=CC=CC=C3.O |
|
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_145568 | CHEBI | SAME_URI | |
| http://www.semanticweb.org/admin/ontologies/2022/7/MIO:02620 | MIO | LOOM | |
| http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C76133 | NCIT | LOOM | |
| http://purl.bioontology.org/ontology/SNOMEDCT/725786001 | SNOMEDCT | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_145568 | CHEBI | LOOM |