CHEBI:108847 - (2R,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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,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 ID CHEBI:108847
Stars This entity has been manually annotated by a third party.
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Formula C27H36F3N3O3
Net Charge 0
Average Mass 507.589
Monoisotopic Mass 507.27088
InChI InChI=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
InChIKey RAYQZOVLGJUDGR-CEYNDMKZSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)CC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing (2R,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:108847) is a (trifluoromethyl)benzenes (CHEBI:83565)
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