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Quetiapine Fumarate 1.0 mg/ml in Methanol (as free base), LoGiCal
Specifications
Specifications
| Chemical Name or Material | Quetiapine fumarate |
| CAS | 111974-72-2 |
| Analyte or Component Names | Quetiapine fumarate |
| Shipping Condition | Room Temperature |
| Molecular Formula | 2 C21 H25 N3 O2 S . C4 H4 O4 |
| Certifications/Compliance | ISO 17034 |
| Synonym | Quetiapine Fumarate, Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (2E)-2-butenedioate (2:1), Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (2E)-2-butenedioate (2:1) (salt) (9CI), Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (E)-2-butenedioate (2:1) (salt), Dibenzo[b,f][1,4]thiazepine, ethanol deriv., ICI 204636, Quetiapine fumarate, Quetiapine hemifumarate, Seroquel, ZD 5077, ZM 204636 |
| InChI Formula | 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+ |
| Solution Type | Single Solution |
| SMILES | OCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24.OCCOCCN5CCN(CC5)C6=Nc7ccccc7Sc8ccccc68.OC(=O)\C=C\C(=O)O |
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