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CHEBI:113832 - (2S,3S)-10-(dimethylamino)-5-[(2R)-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:113832
ChEBI Name(2S,3S)-10-(dimethylamino)-5-[(2R)-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](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(cccc2N(C)C)C1=O
InChIInChI=1S/C26H34F3N3O3/c1-17-13-32(18(2)16-33)25(34)21-7-6-8-22(30(3)4)24(21)35-23(17)15-31(5)14-19-9-11-20(12-10-19)26(27,28)29/h6-12,17-18,23,33H,13-16H2,1-5H3/t17-,18+,23+/m0/s1
InChIKeyUEVJVAFABFCLJH-YZZKKUAISA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:113832) is a (trifluoromethyl)benzenes (CHEBI:83565)
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