Quetiapine (hemifumarate)

Quetiapine is an atypical, second generation antipsychotic compound. It has effects at multiple receptors, antagonizing dopamine D1, D2, and D3 receptors (Kis = 994, 379, and 340 nM, respectively), serotonin 5-HT1A, 5-HT2A, and 5-HT7 receptors (Kis = 394, 118, and 307 nM, respectively), and alpha1A, alpha1B, and alpha2C adrenergic receptors (Kis = 22, 15, and 29 nM, respectively). Quetiapine also potently antagonizes the histamine H1 receptor (Ki = 11 nM).Formal Name: 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-ethanol, 2E-butenedioate (2:1). CAS Number: 111974-72-2. Synonyms: ICI 204636. Molecular Formula: C21H25N3O2S . 1/2C4H4O4. Formula Weight: 441.5. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 10 mg/ml, DMSO: 10 mg/ml, DMSO:PBS(pH7.2) (1:1): 0.5 mg/ml. SMILES: OC(/C=C/C(O)=O)=O.OCCOCCN(CC1)CCN1C2=NC(C=CC=C3)=C3SC4=C2C=CC=C4. InChi Code: InChI=1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(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/h2*1-8,25H,9-16H2,1-2H,(H,5,6)(H,7,8)/b,,2-1+. InChi Key: ZTHJULTYCAQOIJ-WXXKFALUSA-N.