Link to this page
Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
Jump to:
| Preferred Name | nitisinone | |
| Synonyms |
2-(alpha,alpha,alpha-Trifluoro-2-nitro-p-tuluoyl)-1,3-cyclohexanedione nitisinona nitisinonum nitisinone Orfadin 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione |
|
| Definitions |
A cyclohexanone that is cyclohexane-1,3-dione substituted at position 2 by a 2-nitro-4-(trifluoromethyl)benzoyl group. It is used in the treatment of hereditary tyrosinemia type 1. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50378 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:23511227 Patent:US5668089 PMID:23146787 PMID:23250512 PMID:17458044 Patent:EP186118 CAS:104206-65-7 DrugBank:DB00348 HMDB:HMDB0014492 PMID:23486607 PMID:20883679 PMID:14668946 PMID:21620748 Patent:US5550165 PMID:21377430 PMID:21813063 Patent:US4774360 Drug_Central:1944 PMID:23203167 PMID:23311542 PMID:23430914 PMID:15297036 PMID:21752152 Wikipedia:Nitisinone PMID:21968107 Reaxys:8639943 PMID:21968110 PMID:17152330 PMID:23430917 Patent:US5006158 PMID:22885033 PMID:22456946 KEGG:D05177
|
|
| definition |
A cyclohexanone that is cyclohexane-1,3-dione substituted at position 2 by a 2-nitro-4-(trifluoromethyl)benzoyl group. It is used in the treatment of hereditary tyrosinemia type 1.
|
|
| formula |
C14H10F3NO5
|
|
| has role | ||
| has_exact_synonym |
2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
2-(alpha,alpha,alpha-Trifluoro-2-nitro-p-tuluoyl)-1,3-cyclohexanedione nitisinona nitisinonum nitisinone Orfadin
|
|
| id |
CHEBI:50378
|
|
| in_subset | ||
| inchi |
InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2
|
|
| inchikey |
OUBCNLGXQFSTLU-UHFFFAOYSA-N
|
|
| label |
nitisinone
|
|
| mass |
329.22810
|
|
| monoisotopicmass |
329.05111
|
|
| notation |
CHEBI:50378
|
|
| prefLabel |
nitisinone
|
|
| smiles |
[O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_38321 http://purl.obolibrary.org/obo/CHEBI_83565 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38321 http://purl.obolibrary.org/obo/CHEBI_83565 |
Add comment
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |
Create mapping