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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | levosimendan | |
| Synonyms |
levosimendan levosimendanum Simdax ({4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50567 |
|
| alternative term |
levosimendan levosimendanum Simdax ({4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile
|
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_38070 http://purl.obolibrary.org/obo/CHEBI_50568 |
|
| charge |
0
|
|
| database_cross_reference |
Patent:US5569657 KEGG:D04720 DrugBank:DB00922 Patent:GB2251615 CAS:141505-33-1 Beilstein:6959885 Drug_Central:1576
|
|
| formula |
C14H12N6O
|
|
| has_exact_synonym |
({4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
levosimendan levosimendanum Simdax
|
|
| id |
CHEBI:50567
|
|
| in_subset | ||
| inchi |
InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1
|
|
| inchikey |
WHXMKTBCFHIYNQ-SECBINFHSA-N
|
|
| label |
levosimendan
|
|
| mass |
280.28492
|
|
| monoisotopicmass |
280.10726
|
|
| notation |
CHEBI:50567
|
|
| prefLabel |
levosimendan
|
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_38070 http://purl.obolibrary.org/obo/CHEBI_50568 |
|
| smiles |
C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_18379 |
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