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(±)-Ketoconazole-d4 (piperazine-3,3,5,5-d4), CDN
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Quantity:
0.005 g
0.01 g
Unit Size:
0.01g
Specifications
Specifications
| Chemical Name or Material | (±)-Ketoconazole-d4 (piperazine-3,3,5,5-d4) |
| CAS | 1398065-75-2 |
| Molecular Formula | C26 D4 H24 Cl2 N4 O4 |
| Quantity | 0.005 g |
| Synonym | rel-1-[4-[4-[[(2 R,4 S)-2-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl-3,3,5,5-d4]ethanone (ACI), Ketoconazole-d4, Ketoconazole-D4 (1-acetylpiperazine-3,3,5,5-D4) |
| InChI Formula | InChI=1 S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23 H,10-13,15-17H2,1H3/t23-,26-/m0/s1/i12D2,13D2 |
| SMILES | [2 H]C1([2 H])CN(CC([2 H])([2 H])N1c2ccc(OC[C@H]3 CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2)C(=O)C |
| IUPAC Name | 1-[3,3,5,5-tetradeuterio-4-[4-[[(2 R,4 S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone |
| Molecular Weight (g/mol) | 535.4556 |
| Formula Weight | 534.1739 g/mol |
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