| CAS Number | 181525-38-2 |
| Catalog Number | AG00ABZY(AGN-PC-0QC0TT) |
| Chemical Name | 9-hydroxy-3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| EC Number | 605-935-3 |
| IUPAC Name | 9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one |
| InChI | InChI=1S/C11H12N2O3/c1-7-8(4-6-14)11(16)13-5-2-3-9(15)10(13)12-7/h2-3,5,14-15H,4,6H2,1H3 |
| InChI Key | GNJWAVGJDQQQSS-UHFFFAOYSA-N |
| MDL Number | MFCD28130087 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | Cc1c(c(=O)n2cccc(c2n1)O)CCO |
| Synonyms | 9-hydroxy-3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one,
181525-38-2,
Paliperidone IMpurity 04,
GNJWAVGJDQQQSS-UHFFFAOYSA-N,
SCHEMBL900661,
ZINC35822825,
AKOS022928371,
ACM181525382,
FT-0726487,
9-Hydroxy-2-methyl-3-(2-hydroxyethyl)-4H-pyrido[1,2-a]pyrimidine-4-one,
9-Hydroxy-3-hydroxyethyl-2-methyl- 4H-pyrido[1,2-a]pyrimidin-4-one,
1025804-82-3,
EC 605-935-3,
3-(2-hydroxyethyl)-9-hydroxy-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one,
9-Hydroxy-3-(2-hydroxyethyl)-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one,
|
| Complexity | 458 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.228g/mol |
| Monoisotopic Mass | 220.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number