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CHEBI:113733 - (2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one

ChEBI IDCHEBI:113733
ChEBI Name(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
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FormulaC27H36F3N3O3
Net Charge0
Average Mass507.597
Monoisotopic Mass507.27088
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(N(C)C)cc2CC1=O
InChIInChI=1S/C27H36F3N3O3/c1-18-14-33(19(2)17-34)26(35)13-21-12-23(31(3)4)10-11-24(21)36-25(18)16-32(5)15-20-6-8-22(9-7-20)27(28,29)30/h6-12,18-19,25,34H,13-17H2,1-5H3/t18-,19+,25+/m0/s1
InChIKeyRAYQZOVLGJUDGR-OSWQYVSFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:113733) is a (trifluoromethyl)benzenes (CHEBI:83565)
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