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CHEBI:106180 - (2R,3S)-2-[(dimethylamino)methyl]-8-(4-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:106180
ChEBI Name(2R,3S)-2-[(dimethylamino)methyl]-8-(4-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC22H28FN3O3
Net Charge0
Average Mass401.482
Monoisotopic Mass401.21147
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C)Oc2ncc(-c3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C22H28FN3O3/c1-14-11-26(15(2)13-27)22(28)19-9-17(16-5-7-18(23)8-6-16)10-24-21(19)29-20(14)12-25(3)4/h5-10,14-15,20,27H,11-13H2,1-4H3/t14-,15+,20-/m0/s1
InChIKeyMDZBGQPEIJVAEI-MDOVXXIYSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-2-[(dimethylamino)methyl]-8-(4-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:106180) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-17541LINCS