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| IUPAC Name: | 2-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol |
| Description: | O-Demethylchelerythrine can be used to produce human CYP1A1 and CYP1A2 and rat liver microsomes using liquid chromatography- tandem mass spectrometry. |
| Molecular Weight: | 320.35 + (32.04) |
| Molecular Formula: | C19H14NO4·CH4O |
| Canonical SMILES: | C[N+]1=C2C(=C3C=CC(=C(C3=C1)O)OC)C=CC4=CC5=C(C=C42)OCO5 |
| InChI: | InChI=1S/C20H15NO4/c1-21-9-15-12(5-6-16(23-2)20(15)22)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21/h3-9H,10H2,1-2H3/p+1 |
| InChI Key: | RSCIYYHIBVZXDI-UHFFFAOYSA-O |
| References: | Deroussent, A., et.al. J. Pharm. Biomed. Anal.,52, 391-397, (2010). |
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