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| IUPAC Name: | 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4-chloro-2-nitrophenol |
| Description: | Impurity in the synthesis of the antipsychotic agent Ziprasidone (Z485000). |
| Molecular Weight: | 418.9 |
| Molecular Formula: | C19H19ClN4O3S |
| Canonical SMILES: | C1CN(CCN1CCC2=CC(=C(C=C2Cl)[N+](=O)[O-])O)C3=NSC4=CC=CC=C43 |
| InChI: | InChI=1S/C19H19ClN4O3S/c20-15-12-16(24(26)27)17(25)11-13(15)5-6-22-7-9-23(10-8-22)19-14-3-1-2-4-18(14)28-21-19/h1-4,11-12,25H,5-10H2 |
| InChI Key: | PUKODMQLIWXHPF-UHFFFAOYSA-N |
| Solubility: | Dichloromethane, Methanol |
| Appearance: | Light Yellow Solid |
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