CHEBI:110228 - 2-[(1S,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

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ChEBI Name 2-[(1S,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 ID CHEBI:110228
Stars This entity has been manually annotated by a third party.
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Formula C24H26F3N3O5
Net Charge 0
Average Mass 493.476
Monoisotopic Mass 493.18246
InChI InChI=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
InChIKey LHJCGFYIVQCPBG-DCZASFAJSA-N
SMILES CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F
ChEBI Ontology
Outgoing 2-[(1S,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:110228) is a ureas (CHEBI:47857)
Manual Xref Database
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