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CHEBI:126752 - 1-[(2S,3R)-3-[4-(2-fluorophenyl)phenyl]-2-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone

ChEBI IDCHEBI:126752
ChEBI Name1-[(2S,3R)-3-[4-(2-fluorophenyl)phenyl]-2-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
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DownloadsMolfile
FormulaC26H31FN2O3
Net Charge0
Average Mass438.543
Monoisotopic Mass438.23187
SMILESCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3F)cc2)C12CN(CC1CCOCC1)C2
InChIInChI=1S/C26H31FN2O3/c1-18(31)29-24(15-30)25(26(29)16-28(17-26)14-19-10-12-32-13-11-19)21-8-6-20(7-9-21)22-4-2-3-5-23(22)27/h2-9,19,24-25,30H,10-17H2,1H3/t24-,25-/m1/s1
InChIKeyIZJRUFXUXJSKKQ-JWQCQUIFSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-3-[4-(2-fluorophenyl)phenyl]-2-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone (CHEBI:126752) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-38315LINCS