| Identification | Back Directory | [Name]
Butanedioic acid, 2-[[2-methyl-1-(phenylmethyl)-1H-imidazol-5-yl]methylene]-, 1-ethyl ester, (2E)- | [CAS]
1640981-02-7 | [Synonyms]
Tegoprazan Impurity 2
Butanedioic acid, 2-[[2-methyl-1-(phenylmethyl)-1H-imidazol-5-yl]methylene]-, 1-ethyl ester, (2E)- | [Molecular Formula]
C18H20N2O4 | [MOL File]
1640981-02-7.mol | [Molecular Weight]
328.36 |
| Chemical Properties | Back Directory | [Boiling point ]
538.6±50.0 °C(Predicted) | [density ]
1.18±0.1 g/cm3(Predicted) | [pka]
3.59±0.10(Predicted) | [InChI]
InChI=1S/C18H20N2O4/c1-3-24-18(23)15(10-17(21)22)9-16-11-19-13(2)20(16)12-14-7-5-4-6-8-14/h4-9,11H,3,10,12H2,1-2H3,(H,21,22)/b15-9+ | [InChIKey]
TVHFEMURPTYTGF-OQLLNIDSSA-N | [SMILES]
C(OCC)(=O)/C(=C/C1N(CC2=CC=CC=C2)C(C)=NC=1)/CC(O)=O |
| Hazard Information | Back Directory | [Uses]
Tegoprazan Impurity 2 can be used as an impurity reference in the production process of the drug molecule tigorafenib, and is often used for quality testing and purity analysis of the drug molecule tigorafenib. | [Synthesis]
Butanedioic acid, 2-[[2-methyl-1-(phenylmethyl)-1H-imidazol-5-yl]methylene]-, 1-ethyl ester, (2E)- is often prepared by condensation of diethyl succinate and imidazolyl aldehyde. |
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