EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:113811 - (2R,3S)-10-(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:113811
ChEBI Name(2R,3S)-10-(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
Stars
DownloadsMolfile
FormulaC26H34F3N3O3
Net Charge0
Average Mass493.570
Monoisotopic Mass493.25523
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
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-BSRJHKFKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-10-(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:113811) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual XrefsDatabases
LSM-25243LINCS