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

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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
ChEBI ID CHEBI:106180
Stars This entity has been manually annotated by a third party.
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Formula C22H28FN3O3
Net Charge 0
Average Mass 401.475
Monoisotopic Mass 401.21147
InChI InChI=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
InChIKey MDZBGQPEIJVAEI-MDOVXXIYSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=C(C=C3)F)O[C@H]1CN(C)C)[C@H](C)CO
ChEBI Ontology
Outgoing (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 Xref Database
LSM-17541 LINCS
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