Netupitant metabolite Netupitant N-oxide

Base Information

• Chemical Name: Netupitant metabolite Netupitant N-oxide
• CAS No.: 910808-11-6
• Molecular Formula: C30H32F6N4O2
• Molecular Weight: 594.59
• UNII: 5Q2I9HLY8W
• Mol file: 910808-11-6.mol

Synonyms:Netupitant N-Oxide;Netupitant metabolite Netupitant N-oxide;910808-11-6;Netupitant metabolite M2;5Q2I9HLY8W;2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-(2-methylphenyl)pyridin-3-yl]propanamide;RO-0713001;UNII-5Q2I9HLY8W;SCHEMBL4254545;BCP13239;HY-G0011;NetupitantmetaboliteNetupitantN-oxide;AKOS040733847;A860612;BENZENEACETAMIDE, N,.ALPHA.,.ALPHA.-TRIMETHYL-N-(6-(4-METHYL-4-OXIDO-1-PIPERAZINYL)-4-(2-METHYLPHENYL)-3-PYRIDINYL)-3,5-BIS(TRIFLUOROMETHYL)-;Benzeneacetamide, N,alpha,alpha-trimethyl-N-(6-(4-methyl-4-oxido-1-piperazinyl)-4-(2-methylphenyl)-3-pyridinyl)-3,5-bis(trifluoromethyl)-;N,.ALPHA.,.ALPHA.-TRIMETHYL-N-(6-(4-METHYL-4-OXIDO-1-PIPERAZINYL)-4-(2-METHYLPHENYL)-3-PYRIDINYL)-3,5-BIS(TRIFLUOROMETHYL)BENZENEACETAMIDE;N,alpha,alpha-Trimethyl-N-(6-(4-methyl-4-oxido-1-piperazinyl)-4-(2-methylphenyl)-3-pyridinyl)-3,5-bis(trifluoromethyl)benzeneacetamide

Chemical Property of Netupitant metabolite Netupitant N-oxide

Chemical Property:

• PSA: 65.87000
• LogP: 6.82340
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly)
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 594.24294525
• Heavy Atom Count: 42
• Complexity: 914

Purity/Quality:

99%+, ^*data from raw suppliers

NetupitantN-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=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-]
• Uses: Netupitant N-Oxide is a derivative Netupitant (N390950) which is a potent and selective neurokinin-1 receptor (NK1) receptor antagonist. Netupitant (N390950) is achiral and orally active.