N-Desmethyl Netupitant
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-piperazin-1-yl-3-pyridinyl]propanamide
Also Known As: N-Desmethyl Netupitant|Netupitant metabolite N-desmethyl Netupitant|Netupitant Impurity B|Netupitant metabolite M1|EX-A3289|HY-G0010|CS-4119|NetupitantmetaboliteN-desmethylNetupitant|2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-piperazin-1-ylpyridin-3-yl]propanamide|2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-(piperazin-1-yl)-4-(o-tolyl)pyridin-3-yl)propanamide|2-(3,5-Bis-trifluoromethyl-phenyl)-N-methyl-N-(6-piperazin-1-yl-4-o-tolyl-pyridin-3-yl)-isobutyramide|2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-piperazin-1-ylpyridin-3-yl]propanamide
Netupitant metabolite N-desmethyl Netupitant
SCHEMBL1399508
SRVSDBHUBFLSFE-UHFFFAOYSA-N
| Molecular Formula | C29H30F6N4O |
|---|---|
| Molecular Weight | 564.23236 g/mol |
| LogP | 6.44482 |
| Topological Polar Surface Area | 48.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 564.23236 |
| Monoisotopic Mass | 564.23236 |
| Heavy Atoms | 40 |
| Complexity | 1361.7521 |
Chemical Identifiers
| CAS Number | 290296-72-9 |
|---|---|
| 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)N4CCNCC4 |
Product Overview
N-Desmethyl Netupitant (CAS 290296-72-9), with molecular formula C29H30F6N4O and molecular weight 564.23236 g/mol. IUPAC: 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-piperazin-1-yl-3-pyridinyl]propanamide.