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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | Floctafenine | |
| Synonyms |
diralgan novodolan floctafenin idarac Floctafenine |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31612 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:23779-99-9 Drug_Central:1178 KEGG:D01267
|
|
| formula |
C20H17F3N2O4
|
|
| has_exact_synonym |
Floctafenine
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
diralgan novodolan floctafenin idarac
|
|
| id |
CHEBI:31612
|
|
| in_subset | ||
| inchi |
InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)
|
|
| inchikey |
APQPGQGAWABJLN-UHFFFAOYSA-N
|
|
| label |
Floctafenine
|
|
| mass |
406.356
|
|
| monoisotopicmass |
406.11404
|
|
| notation |
CHEBI:31612
|
|
| prefLabel |
Floctafenine
|
|
| smiles |
C(F)(F)(F)C1=C2C(C(NC3=C(C(OCC(CO)O)=O)C=CC=C3)=CC=N2)=CC=C1
|
|
| treeView | ||
| subClassOf |
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