| CAS Number | 144734-36-1 |
| Catalog Number | AG00AKQ5(AGN-PC-04QICR) |
| Chemical Name | 4-(4-FLUOROBENZOYL)-1-(4-PHENYLBUTYL)PIPERIDINE OXALATE |
| IUPAC Name | (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone;oxalic acid |
| InChI | InChI=1S/C22H26FNO.C2H2O4/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18;3-1(4)2(5)6/h1-3,6-7,9-12,20H,4-5,8,13-17H2;(H,3,4)(H,5,6) |
| InChI Key | VUJYJCRJPFMHEM-UHFFFAOYSA-N |
| MDL Number | MFCD00673877 |
| Molecular Formula | C24H28FNO5 |
| Molecular Weight | 429.4812 |
| SMILES | C(C(=O)O)(=O)O.FC1=CC=C(C=C1)C(=O)C1CCN(CC1)CCCCC1=CC=CC=C1 |
| Synonyms | 4F 4PP oxalate,
144734-36-1,
CHEMBL1788135,
4-(4-Fluorobenzoyl)-1-(4-phenylbutyl)piperidine oxalate,
SCHEMBL467239,
DTXSID4042626,
CTK8F5944,
NOCAS_42626,
HMS3266I12,
HMS3678G19,
BN0027,
AKOS024458539,
B6334,
SR-01000597747,
J-008004,
SR-01000597747-1,
4-(4-fluorobenzoyl)-1-(4-phenylbutyl)-piperidine oxalate,
(4-fluorophenyl)[1-(4-phenylbutyl)piperidin-4-yl]methanone ethanedioate,
|
| Complexity | 462 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 429.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 429.488g/mol |
| Monoisotopic Mass | 429.195g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 94.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number