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342417-04-3

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342417-04-3 Structure

342417-04-3 Structure
IdentificationBack Directory
[Name]

N-tert-butyl-6-chloro-4-(o-tolyl)nicotinamide
[CAS]

342417-04-3
[Synonyms]

NETUPITANT IST-2
N-?(tert-?Butyl)?-?6-?chloro-?4-?(2-?methylphenyl)?nicotinamide
3-Pyridinecarboxamide, 6-chloro-N-(1,1-dimethylethyl)-4-(2-methylphenyl)-
[Molecular Formula]

C17H19ClN2O
[MOL File]

342417-04-3.mol
[Molecular Weight]

302.8
Chemical PropertiesBack Directory
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[InChI]

InChI=1S/C17H19ClN2O/c1-11-7-5-6-8-12(11)13-9-15(18)19-10-14(13)16(21)20-17(2,3)4/h5-10H,1-4H3,(H,20,21)
[InChIKey]

OMUYXAYJDVKDPJ-UHFFFAOYSA-N
[SMILES]

C1=NC(Cl)=CC(C2=CC=CC=C2C)=C1C(NC(C)(C)C)=O
Hazard InformationBack Directory
[Uses]

N-?(tert-?Butyl)?-?6-?chloro-?4-?(2-?methylphenyl)?nicotinamide is a reagent used in the synthesis of NK1/NK3 receptor antagonists used in the treatment of depression.
Spectrum DetailBack Directory
[Spectrum Detail]

N-tert-butyl-6-chloro-4-(o-tolyl)nicotinamide(342417-04-3)1HNMR
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