Products 104206-65-7

CAS 104206-65-7 appears in our catalog under these names: Nitisinone, Nitisinone, >95% (HPLC), Nitisinone/ 99.54% (existing batch purity), 2-(2-Nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione, 9, Nitisinone, >98.0%(HPLC)(T). Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Thermo Scientific (Alfa Aesar). Available pack sizes: on request, 100mg, 1g, 250mg, 10mg, 25mg, 50mg, 500mg.

Structural formula: {0} (CAS {1})

Nitisinone is 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. It has a role as an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor. It is a member of cyclohexanones, a C-nitro compound, a mesotrione and a member of (trifluoromethyl)benzenes.

Source: ChEBI

Identity
Molecular formulaC14H10F3NO5
Molecular weight329.23 g/mol
IUPAC name2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
InChIKeyOUBCNLGXQFSTLU-UHFFFAOYSA-N
SMILESC1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Computed by PubChem (NCBI)