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| IUPAC Name: | ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate |
| Description: | A metabolite of Erlotinib. Erlotinib is a tyrosine kinase inhibitor which acts on the epidermal growth factor receptor (EGFR), inhibiting EGFR-associated kinase activity. |
| Molecular Weight: | 343.33 |
| Molecular Formula: | C15H21NO8 |
| Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCCOC)OCCOC |
| InChI: | InChI=1S/C15H21NO8/c1-4-22-15(17)11-9-13(23-7-5-20-2)14(24-8-6-21-3)10-12(11)16(18)19/h9-10H,4-8H2,1-3H3 |
| InChI Key: | VOHOFZNVWZWVMA-UHFFFAOYSA-N |
| Boiling Point: | 467.8 °C at 760 mmHg |
| Purity: | > 95 % |
| Density: | 1.215 g/cm3 |
| Appearance: | White solid |
| MDL: | MFCD06797662 |
| LogP: | 2.34510 |
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Carbonyl Compounds
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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