| CAS Number | 701977-00-6 |
| Catalog Number | AG01EONH(AGN-PC-0WOJ02) |
| Chemical Name | Taranabant (racemate) |
| IUPAC Name | N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide |
| InChI | InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35) |
| InChI Key | QLYKJCMUNUWAGO-UHFFFAOYSA-N |
| MDL Number | MFCD16036070 |
| Molecular Formula | C28H29ClF3N3O2 |
| Molecular Weight | 531.9970 |
| SMILES | C(N[C@H](C)[C@@H](C1=CC=CC(C#N)=C1)CC1=CC=C(Cl)C=C1)(=O)C(C)(OC1=NC=C(C(F)(F)F)C=C1)C.C |
| Synonyms | MK 0364,
MK-0364,
MK0364,
N-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide,
taranabant,
Taranabant racemate,
Taranabant (1R,2R)stereoisomer,
701977-00-6,
701977-08-4,
MK0364,
SCHEMBL501972,
CHEMBL468313,
N-(4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide,
Taranabant,
CID10152529,
CID 10152529,
701977-09-5,
|
| Complexity | 776 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 515.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 515.961g/mol |
| Monoisotopic Mass | 515.159g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 75A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number