| CAS Number | 152542-03-5 |
| Catalog Number | AG01CCDJ(AGN-PC-0WH57X) |
| Chemical Name | R 84852 |
| IUPAC Name | 3-[2-[4-(4-fluoro-2-hydroxybenzoyl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one |
| InChI | InChI=1S/C23H28FN3O4/c1-14-17(23(31)27-9-2-3-19(28)22(27)25-14)8-12-26-10-6-15(7-11-26)21(30)18-5-4-16(24)13-20(18)29/h4-5,13,15,19,28-29H,2-3,6-12H2,1H3 |
| InChI Key | HHJQSCQRKCIFRU-UHFFFAOYSA-N |
| Molecular Formula | C23H28FN3O4 |
| Molecular Weight | 429.4845 |
| SMILES | CC1=C(CCN2CCC(CC2)C(=O)c3ccc(F)cc3O)C(=O)N4CCCC(O)C4=N1 |
| Synonyms | 152542-03-5,
UNII-3356VUM787,
R-84852,
R084852,
R-084852,
SCHEMBL6910347,
3356VUM787,
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(4-fluoro-2-hydroxybenzoyl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-,
R 84852,
HHJQSCQRKCIFRU-UHFFFAOYSA-N,
Paliperidone hydroxy benzoyl analog,
|
| Complexity | 775 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 429.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 429.492g/mol |
| Monoisotopic Mass | 429.206g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number