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CHEBI:111576 - (2S,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one

ChEBI IDCHEBI:111576
ChEBI Name(2S,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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FormulaC26H34F3N3O3
Net Charge0
Average Mass493.570
Monoisotopic Mass493.25523
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H34F3N3O3/c1-17-13-32(18(2)16-33)25(34)22-12-21(30(3)4)10-11-23(22)35-24(17)15-31(5)14-19-6-8-20(9-7-19)26(27,28)29/h6-12,17-18,24,33H,13-16H2,1-5H3/t17-,18-,24+/m0/s1
InChIKeyMFZVISJYBZETPX-LLJLJFOGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:111576) is a (trifluoromethyl)benzenes (CHEBI:83565)
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