| Identification | Back Directory | [Name]
N-DesMethyl Netupitant | [CAS]
290296-72-9 | [Synonyms]
Netupitant Impurity B
N-DesMethyl Netupitant
Netupitant N-Desmethyl Impurity
Netupitant metabolite N-desmethyl Netupitant
2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-(piperazin-1-yl)-4-(o-tolyl)pyridin-3-yl)propanamide
Benzeneacetamide, N,α,α-trimethyl-N-[4-(2-methylphenyl)-6-(1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)- | [Molecular Formula]
C29H30F6N4O | [MDL Number]
MFCD28900723 | [MOL File]
290296-72-9.mol | [Molecular Weight]
564.57 |
| Chemical Properties | Back Directory | [Boiling point ]
607.5±55.0 °C(Predicted) | [density ]
1.266±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
Soluble in DMSO | [pka]
8.51±0.10(Predicted) | [InChIKey]
SRVSDBHUBFLSFE-UHFFFAOYSA-N | [SMILES]
C(N(C)C1=C(C2=CC=CC=C2C)C=C(N2CCNCC2)N=C1)(=O)C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)(C)C |
| Hazard Information | Back Directory | [Uses]
N-Desmethyl Netupitant is a derivative of Netupitant (N390950) which is a potent and selective neurokinin-1 receptor (NK1) receptor antagonist. Netupitant (N390950) is achiral and orally active. |
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