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CHEBI:110525 - 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

ChEBI IDCHEBI:110525
ChEBI Name2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
Stars
DownloadsMolfile
FormulaC24H26F3N3O5
Net Charge0
Average Mass493.482
Monoisotopic Mass493.18246
SMILESCN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1
InChIInChI=1S/C24H26F3N3O5/c1-30(2)21(32)11-16-10-18-17-9-15(7-8-19(17)35-22(18)20(12-31)34-16)29-23(33)28-14-5-3-13(4-6-14)24(25,26)27/h3-9,16,18,20,22,31H,10-12H2,1-2H3,(H2,28,29,33)/t16-,18+,20-,22-/m1/s1
InChIKeyLHJCGFYIVQCPBG-HOQQESESSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:110525) is a ureas (CHEBI:47857)
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