Netupitant N-Oxide

cas: 910808-11-6 — see every product listed under this CAS number, including other names

Netupitant N-Oxide (CAS 910808-11-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULN075005
cas910808-11-6
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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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 (CAS 910808-11-6) 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-[6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-(2-methylphenyl)-3-pyridinyl]propanamide. InChIKey: FKUOVQVMCOPBJS-UHFFFAOYSA-N.

Identity
Molecular formulaC30H32F6N4O2
Molecular weight594.6 g/mol
IUPAC name2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-(2-methylphenyl)-3-pyridinyl]propanamide
InChIKeyFKUOVQVMCOPBJS-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)N4CC[N+](CC4)(C)[O-]

Computed by PubChem (NCBI)

Synonyms: Netupitant N-Oxide, Netupitant metabolite Netupitant N-oxide, Netupitant metabolite M2, Netupitant Impurity C, orb1992756, NetupitantmetaboliteNetupitantN-oxide
Isomers (same molecular formula)
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 C30H32F6N4O2
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N,2-dimethylpropanamide C30H32F6N4O2

Also listed as

Netupitant N-Oxide, >95% (HPLC) TRC CAS 910808-11-6
Netupitant metabolite Netupitant N-oxide TargetMol CAS 910808-11-6