| CAS Number | 487051-12-7 |
| Catalog Number | AG00DGT5(AGN-PC-0S0J4U) |
| Chemical Name | N-[3-[1-[[4-(3,4-Difluorophenoxy)phenyl]methyl]-4-piperidinyl]-4-methylphenyl]-2-methylpropanamidehydrochloride |
| IUPAC Name | N-[3-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide;hydrochloride |
| InChI | InChI=1S/C29H32F2N2O2.ClH/c1-19(2)29(34)32-23-7-4-20(3)26(16-23)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-27(30)28(31)17-25;/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34);1H |
| InChI Key | DEDUDFNRQKUBRH-UHFFFAOYSA-N |
| MDL Number | MFCD18969149 |
| Molecular Formula | C29H32F2N2O2 |
| Molecular Weight | 478.5734 |
| SMILES | O=C(C(C)C)NC1=CC=C(C)C(C2CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C(F)=C4)F)=C1 |
| Synonyms | SNAP 94847 hydrochloride,
487051-12-7,
AKOS024457569,
N-[3-[1-[[4-(3,4-DIFLUOROPHENOXY)PHENYL]METHYL]-4-PIPERIDINYL]-4-METHYLPHENYL]-2-METHYLPROPANAMIDE HYDROCHLORIDE,
N-[3-[1-[[4-(3,4-Difluorophenoxy)phenyl]methyl]-4-piperidinyl]-4-methylphenyl]-2-methylpropanamidehydrochloride,
|
| Complexity | 661 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 514.22g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 515.042g/mol |
| Monoisotopic Mass | 514.22g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number