Aripiprazole-d8 is a deuterated version of Aripiprazole, which is a selective D2DR (dopamine D2-receptor) antagonist with dopamine autoreceptor agonist activity. Users have reported separation of this compound and aripiprazole under reverse-phase H and normal-phase.
| Pubchem Sid | 504769990 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769990 |
| Sonrisas canónicas | C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl |
| IUPAC Name | 7-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one |
| InChIKey | CEUORZQYGODEFX-FUEQIQQISA-N |
| INCHI | 1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)/i11D2,12D2,13D2,14D2 |
| Isómeros SMILES | [2H]C1(C(N(C(C(N1CCCCOC2=CC3=C(CCC(=O)N3)C=C2)([2H])[2H])([2H])[2H])C4=C(C(=CC=C4)Cl)Cl)([2H])[2H])[2H] |
| RTECS | VC8275950 |
| Peso molecular | 456.43 |
| Reaxy-Rn | 7951706 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7951706&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Hydroquinolones Hydroquinolines Dichlorobenzenes Dialkylarylamines Aniline and substituted anilines Phenol ethers N-alkylpiperazines Alkyl aryl ethers Aryl chlorides Secondary carboxylic acid amides Lactams Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Quinolone - Tetrahydroquinolone - Tetrahydroquinoline - Phenol ether - 1,2-dichlorobenzene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - Alkyl aryl ether - N-alkylpiperazine - Chlorobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Lactam - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Organonitrogen compound - Amine - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Solubilidad | Soluble in chloroform, and dichloromethane. |
|---|---|
| Índice de refracción | n20D1.59 (Predicted) |
| Punto de ebullición (°C) | 646.18° C at 760 mmHg (Predicted) |
| Punto de fusión (°C) | 123-126° C |
| Peso molecular | 456.400 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 455.198 Da |
| Monoisotopic Mass | 455.198 Da |
| Topological Polar Surface Area | 44.800 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 559.000 |
| Isotope Atom Count | 8 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
A2314032