Moligand™, ≥98 atom% D,≥98%(CP) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Paliperidone-d4 is the deuterium labeled Paliperidone. Paliperidone (9-Hydroxyrisperidone), the major active metabolite of Risperidone, is a dopamine D2 antagonist and 5-HT2A antagonist. Paliperidone is also active as an antagonist at α1 and α2 adrenergic receptors and H1-histaminergic receptors. Paliperidone, a antipsychotic agent, shows efficacy against schizophrenia.
| Canonical Smiles | CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F |
|---|---|
| IUPAC Name | 9-hydroxy-2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one |
| InChIKey | PMXMIIMHBWHSKN-FJVJJXCISA-N |
| INCHI | 1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/i8D2,12D2 |
| Isomeric SMILES | [2H]C([2H])(C1=C(N=C2C(CCCN2C1=O)O)C)C([2H])([2H])N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F |
| WGK Germany | 1 |
| Alternate CAS | 144598-75-4（unlabelled） |
| Molecular Weight | 430.51 |
| Reaxy-Rn | 8808385 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8808385&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridopyrimidines |
| Alternative Parents | Benzisoxazoles Aralkylamines Pyrimidones Aryl fluorides Benzenoids Piperidines Pyridines and derivatives Isoxazoles Heteroaromatic compounds Lactams Secondary alcohols Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridopyrimidine - Benzisoxazole - Pyrimidone - Aralkylamine - Aryl fluoride - Aryl halide - Benzenoid - Piperidine - Pyridine - Pyrimidine - Heteroaromatic compound - Azole - Isoxazole - Tertiary aliphatic amine - Lactam - Tertiary amine - Secondary alcohol - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2528671 | Certificate of Analysis | Mar 15, 2025 | P757620 |
| C2528672 | Certificate of Analysis | Mar 15, 2025 | P757620 |
| C2528673 | Certificate of Analysis | Mar 15, 2025 | P757620 |
| C2528674 | Certificate of Analysis | Mar 15, 2025 | P757620 |
| Solubility | Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly) |
|---|---|
| Flash Point(°F) | 48.2 °F |
| Flash Point(°C) | 9 °C |
| Molecular Weight | 430.500 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 430.232 Da |
| Monoisotopic Mass | 430.232 Da |
| Topological Polar Surface Area | 82.200 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 764.000 |
| Isotope Atom Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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