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nitisinone
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.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > enzyme inhibitor [CHEBI:23924] > HPPD inhibitor [CHEBI:38317] > nitisinone [CHEBI:50378]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 enzyme inhibitor [CHEBI:23924] (825) 
 HPPD inhibitor [CHEBI:38317] (3) 
 nitisinone [CHEBI:50378] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 halogen molecular entity [CHEBI:24471] (1475) 
 fluorine molecular entity [CHEBI:24062] (288) 
 organofluorine compound [CHEBI:37143] (275) 
 nitisinone [CHEBI:50378] (1)
 halide [CHEBI:37578] (1402) 
 organohalogen compound [CHEBI:36684] (976) 
 organofluorine compound [CHEBI:37143] (275) 
 nitisinone [CHEBI:50378] (1)
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 nitro compound [CHEBI:35715] (192) 
 C-nitro compound [CHEBI:35716] (171) 
 nitisinone [CHEBI:50378] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 cyclic ketone [CHEBI:3992] (644) 
 alicyclic ketone [CHEBI:36132] (68) 
 cyclohexanones [CHEBI:23482] (16) 
 nitisinone [CHEBI:50378] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 cyclic ketone [CHEBI:3992] (644) 
 alicyclic ketone [CHEBI:36132] (68) 
 cyclohexanones [CHEBI:23482] (16) 
 nitisinone [CHEBI:50378] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organohalogen compound [CHEBI:36684] (976) 
 organofluorine compound [CHEBI:37143] (275) 
 nitisinone [CHEBI:50378] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 cyclic ketone [CHEBI:3992] (644) 
 alicyclic ketone [CHEBI:36132] (68) 
 cyclohexanones [CHEBI:23482] (16) 
 nitisinone [CHEBI:50378] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 cyclic ketone [CHEBI:3992] (644) 
 alicyclic ketone [CHEBI:36132] (68) 
 cyclohexanones [CHEBI:23482] (16) 
 nitisinone [CHEBI:50378] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 cyclic ketone [CHEBI:3992] (644) 
 alicyclic ketone [CHEBI:36132] (68) 
 cyclohexanones [CHEBI:23482] (16) 
 nitisinone [CHEBI:50378] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 halide [CHEBI:37578] (1402) 
 organohalogen compound [CHEBI:36684] (976) 
 organofluorine compound [CHEBI:37143] (275) 
 nitisinone [CHEBI:50378] (1)
ChEBI Compound Accession Identifier  [CHEBI:50378]
ChEBI Compound Description  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.
ChEBI Compound Identification Number  50378
ChEBI InChI Value  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
ChEBI InChIKey Value  OUBCNLGXQFSTLU-UHFFFAOYSA-N
ChEBI Compound Name  nitisinone
ChEBI SMILES Value  [O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F
ChEBI Substance ID  50139362
ChEBI URL  ChEBI:50378
ChemSpider ID  103195
Ontomatica Chemical Accession Key (OnChAKey)  OUBCNLGXQFSTLU_UHFFFAOYSA_N_000_000000
PubChem Compound ID  115355