Netupitant Impurity 29

cas: 1431216-62-4 — see every product listed under this CAS number, including other names

Netupitant Impurity 29 (CAS 1431216-62-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-N202129
cas1431216-62-4
sizeon request
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Structural formula: {0} (CAS {1})

2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-1-oxidopyridin-1-ium-3-yl]propanamide (CAS 1431216-62-4) is a chemical compound with the molecular formula C30H32F6N4O2 and a molecular weight of 594.6 g/mol. IUPAC name: 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-1-oxidopyridin-1-ium-3-yl]propanamide. InChIKey: XWGBOQVHULIRMQ-UHFFFAOYSA-N.

Identity
Molecular formulaC30H32F6N4O2
Molecular weight594.6 g/mol
IUPAC name2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-1-oxidopyridin-1-ium-3-yl]propanamide
InChIKeyXWGBOQVHULIRMQ-UHFFFAOYSA-N
SMILESCC1=CC=CC=C1C2=CC(=[N+](C=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[O-])N4CCN(CC4)C

Computed by PubChem (NCBI)

Synonyms: Netupitant Impurity 29, XWGBOQVHULIRMQ-UHFFFAOYSA-N
Isomers (same molecular formula)
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-(2-methylphenyl)-3-pyridinyl]propanamide C30H32F6N4O2
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N,2-dimethylpropanamide C30H32F6N4O2