Clozapine-d8 is a deuterium-labeled version of the compound Clozapine . Clozapine is noted to bind preferentially to D4DR (D4-dopamine) and SR-2 (5HT|2|-serotonin receptors) and acts as a weak D1 and D2 antagonist. Clozapine is also reported to bind with the SR-2 (5HT|2|), SR-6 (5HT|6|) and SR-7 (5HT|7|receptors). Two major metabolites of Clozapine are reported to be N-Desmethyl Clozapine (labeled compound; sc-219117) and Clozapine N-oxide . Additionally, reversed-phase HPLC has been reported as a method of identification of Clozapine and its two major metabolites. In studies investigating the induction of neutrophil apoptosis in rabbits by oxidation of Clozapine into reactive nitrenium ion, it was noted that Clozapine increased the rate of neutrophil release from bone marrow while also affecting the neutrophil half-life in the peripheral blood stream of rabbits.
| pKa | pKₐ: 7.5, pKₐ: 7.33 (Predicted) (unlabeled) |
|---|---|
| Datos Ki | Histamine H1 Receptor: Ki= 0.57 nM (human); mAChR M1: Ki= 0.98 nM (human); α2C-AR: Ki= 1.14 nM (human); SR-2A: Ki= 1.2 nM (human); SR-2C: Ki= 3.16 nM (human) (unlabeled) |
| Pubchem Sid | 504773445 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773445 |
| Sonrisas canónicas | CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42 |
| IUPAC Name | 3-chloro-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine |
| InChIKey | QZUDBNBUXVUHMW-JNJBWJDISA-N |
| INCHI | 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3/i8D2,9D2,10D2,11D2 |
| WGK Alemania | 3 (unlabeled) |
| RTECS | HP1750000 |
| Peso molecular | 334.87 |
| Reaxy-Rn | 764984 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=764984&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 →| Solubilidad | Soluble in DMSO (65 mg/ml at 25° C), ethanol (32 mg/ml at 25° C), water (<1 mg/ml at 25° C), DMF (~12.5 mg/ml), and methanol (9.80-10.20 mg/ml). (unlabeled) |
|---|---|
| Índice de refracción | n20D1.68 (Predicted) |
| Punto de ebullición (°C) | 489.16° C at 760 mmHg (Predicted) |
| Punto de fusión (°C) | 174-177° C |
| Peso molecular | 334.900 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 334.18 Da |
| Monoisotopic Mass | 334.18 Da |
| Topological Polar Surface Area | 30.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 446.000 |
| 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 |
L2207782