Products 290297-26-6

CAS 290297-26-6 appears in our catalog under these names: Netupitant, Netupitant, >95% (HPLC), Netupitant/ 99.95% (existing batch purity), Netupitant, >93.0%(HPLC)(qNMR), Netupitant 99%. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: on request, 10mg, 500mg, 50mg, 5mg, 25mg, 100mg, 200mg.

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

Netupitant is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid with the secondary amino group of N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine; an antiemetic used in combination with palonosetron hydrochloride (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy. It has a role as an antiemetic and a neurokinin-1 receptor antagonist. It is a member of toluenes, a monocarboxylic acid amide, an organofluorine compound, an aminopyridine, a N-alkylpiperazine and a N-arylpiperazine.

Source: ChEBI

Identity
Molecular formulaC30H32F6N4O
Molecular weight578.6 g/mol
IUPAC name2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
InChIKeyWAXQNWCZJDTGBU-UHFFFAOYSA-N
SMILESCC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C

Computed by PubChem (NCBI)