Netupitant

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Names

[ CAS No. ]:
290297-26-6

[ Name ]:
Netupitant

[Synonym ]:
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
Benzeneacetamide, N,α,α-trimethyl-N-[4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-
Netupitan
Ro 67-3189/000
2-[3,5-Bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl]propanamide
Netupitant
Benzeneacetamide, N,α,α-trimethyl-N-(4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl)-3,5-bis(trifluoromethyl)-
UNII-7732P08TIR

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
597.4±50.0 °C at 760 mmHg

[ Molecular Formula ]:
C30H32F6N4O

[ Molecular Weight ]:
578.592

[ Flash Point ]:
315.1±30.1 °C

[ Exact Mass ]:
578.248047

[ PSA ]:
39.68000

[ LogP ]:
6.39

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.540

[ Storage condition ]:
-20℃

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • N-methyl-6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridin-3-amine
  • α,α-dimethyl-3,5-bis(trifluoromethyl)benzeneacetyl chloride
  • 6-(4-Methylpiperazin-1-yl)-4-(2-methylphenyl)nicotinamide
  • [6-(4-methyl-piperazin-1-yl)-4-o-tolylpyridin-3-yl]-carbamic acid methyl ester
  • methylpiperazine
  • 2-Chloro-5-nitropyridine
  • 1-Methyl-4-(5-nitropyridin-2-yl)piperazine
  • 6-chloro-4-o-tolyl-nicotinamide
  • 6-chloro-4-o-tolyl-nicotinic acid
  • N-tert-butyl-6-chloro-4-(o-tolyl)nicotinamide

DownStream

Related Compounds

  • Netupitant-d6
  • Netupitant N-1
  • Netupitant ITS-4
  • Netupitant N-Oxide
  • N-desmethyl Netupitant
  • Monohydroxy Netupitant
  • benzyl N-(3-cyano-5-phenylthiophen-2-yl)carbamate
  • benzyl N-[2-(3,5-dibromopyridin-4-yl)ethyl]carbamate
  • tert-butyl N-[5-(1,2,2,2-tetrafluoroethyl)pyridin-2-yl]carbamate
  • benzyl N-[3-(furan-2-yl)-1-(3-nitrophenyl)-1H-pyrazol-5-yl]carbamate
  • benzyl N-(2-fluoro-5-methyl-4-nitrophenyl)carbamate
  • Tert-butyl 4-[(4-methylpiperazin-1-yl)sulfonyl]piperazine-1-carboxylate
  • benzyl N-cyclopentyl-N-(5-nitropyridin-2-yl)carbamate
  • benzyl N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]carbamate
  • tert-butyl N-(2-cyano-4-fluorophenyl)-N-methylcarbamate
  • benzyl N-(3-cyano-4-methyl-1H-pyrrol-2-yl)carbamate
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