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| Related CAS: | 50516-63-7 (free base) |
| IUPAC Name: | 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride |
| Description: | Antitrypanosomal agent 1 is a potent and selective inhibitor of trypanothione reductase (TR), with an IC50 of 3.3 μM. It inhibits glutathione reductase (GR) (IC50 = 64.8 μM) and T. brucei (EC50 = 1 μM). |
| Molecular Weight: | 282.59 |
| Molecular Formula: | C11H14Cl3NO |
| Canonical SMILES: | CN(C)CCC(=O)C1=CC(=C(C=C1)Cl)Cl.Cl |
| InChI: | InChI=1S/C11H13Cl2NO.ClH/c1-14(2)6-5-11(15)8-3-4-9(12)10(13)7-8;/h3-4,7H,5-6H2,1-2H3;1H |
| InChI Key: | PRRKQCKNKRZOPV-UHFFFAOYSA-N |
| Boiling Point: | 341.9 ℃ at 760 mmHg |
| Melting Point: | 186-188°C |
| Purity: | ≥95% |
| Density: | 1.22 g/cm3 |
| Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
| Appearance: | White to Off-white Solid |
| LogP: | 3.92980 |
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