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CHEBI:122874 - 1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea

ChEBI IDCHEBI:122874
ChEBI Name1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea
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DownloadsMolfile
FormulaC25H28FN3O6
Net Charge0
Average Mass485.512
Monoisotopic Mass485.19621
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2
InChIInChI=1S/C25H28FN3O6/c26-15-1-3-16(4-2-15)27-25(32)28-17-5-6-21-19(11-17)20-12-18(34-22(14-30)24(20)35-21)13-23(31)29-7-9-33-10-8-29/h1-6,11,18,20,22,24,30H,7-10,12-14H2,(H2,27,28,32)/t18-,20+,22+,24-/m1/s1
InChIKeyFIOSTBRHNPGFJR-HJBWUJCXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea (CHEBI:122874) is a ureas (CHEBI:47857)
Manual XrefsDatabases
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