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Quetiapine-d8 Hemifumarate (piperazine-d8), CDN
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Quantity:
0.005 g
0.01 g
Unit Size:
0.01g
Specifications
Specifications
| Chemical Name or Material | Quetiapine-d8 Hemifumarate (piperazine-d8) |
| CAS | 1435938-24-1 |
| Molecular Formula | 2 C21 H17 D8 N3 O2 S . C4 H4 O4 |
| Quantity | 0.01 g |
| InChI Formula | InChI=1 S/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*1-8,25 H,9-16H2;1-2 H,(H,5,6)(H,7,8)/b;;2-1+/i2*9D2,10D2,11D2,12D2; |
| SMILES | [2 H]C1([2 H])N(CCOCCO)C([2 H])([2 H])C([2 H])([2 H])N(C2=Nc3ccccc3Sc4ccccc24)C1([2 H])[2 H].[2 H]C5([2 H])N(CCOCCO)C([2 H])([2 H])C([2 H])([2 H])N(C6=Nc7ccccc7Sc8ccccc68)C5([2 H])[2 H].OC(=O)\C=C\C(=O)O |
| IUPAC Name | 2-[2-(4-benzo[b][1,4 ]benzothiazepin-6-yl-2,2,3,3,5,5,6,6-octadeuterio-piperazin-1-yl)ethoxy]ethanol;fumaric acid |
| Molecular Weight (g/mol) | 899.1849 |
| Formula Weight | 898.4449 g/mol |
| Percent Purity | 98 atom % D, min 98% Chemical Purity |
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