WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H463668
CAS#: 1185247-12-4 (fumarate)
Description: Quetiapine-d8 fumarate is intended for use as an internal standard for the quantification of quetiapine by GC- or LC-MS. Quetiapine is an atypical, second generation antipsychotic compound. It has effects at multiple receptors, antagonizing dopamine D1, D2, and D3 receptors, serotonin 5-HT1A, 5-HT2A, and 5-HT7 receptors, and α1A, α1B, and α2C adrenergic receptors. Quetiapine also potently antagonizes the histamine H1 receptor.
Hodoodo Cat#: H463668
Name: Quetiapine-d8 fumarate
CAS#: 1185247-12-4 (fumarate)
Chemical Formula: C25H21D8N3O6S
Exact Mass: 507.23
Molecular Weight: 507.631
Elemental Analysis: C, 59.15; H, 7.34; N, 8.28; O, 18.91; S, 6.32
Synonym: Quetiapine-d8 fumarate; Quetiapine d8 fumarate;
IUPAC/Chemical Name: 2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl-2,2,3,3,5,5,6,6-d8)ethoxy)ethan-1-ol fumarate
InChi Key: VRHJBWUIWQOFLF-SMODUGIXSA-N
InChi Code: InChI=1S/C21H25N3O2S.C4H4O4/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+/i9D2,10D2,11D2,12D2;
SMILES Code: OC(/C=C/C(O)=O)=O.OCCOCCN(C([2H])(C([2H])(N1C2=NC3=C(SC4=C2C=CC=C4)C=CC=C3)[2H])[2H])C([2H])(C1([2H])[2H])[2H]
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, DMF, and methanol
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
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The following data is based on the product molecular weight 507.63 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Fisher DS, Handley SA, Taylor D, Flanagan RJ. Measurement of quetiapine and four quetiapine metabolites in human plasma by LC-MS/MS. Biomed Chromatogr. 2012 Sep;26(9):1125-32. doi: 10.1002/bmc.2672. Epub 2012 Jan 12. PMID: 22241669.
2: Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL. H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs. Neuropsychopharmacology. 2003 Mar;28(3):519-26. doi: 10.1038/sj.npp.1300027. PMID: 12629531.
