(2S,3S)-8-(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:113702)

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CHEBI:113702 - (2S,3S)-8-(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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ChEBI ID	CHEBI:113702
ChEBI Name	(2S,3S)-8-(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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Downloads	Molfile

Formula	C26H34F3N3O3
Net Charge	0
Average Mass	493.570
Monoisotopic Mass	493.25523
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(N(C)C)cc2C1=O
InChI	InChI=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
InChIKey	MFZVISJYBZETPX-HOOSLVGPSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S,3S)-8-(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:113702) is a (trifluoromethyl)benzenes (CHEBI:83565)

Manual Xrefs	Databases
LSM-25134	LINCS