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CHEBI:113602 - (2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one

ChEBI IDCHEBI:113602
ChEBI Name(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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FormulaC25H33Cl2N3O3
Net Charge0
Average Mass494.463
Monoisotopic Mass493.18990
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H33Cl2N3O3/c1-16-12-30(17(2)15-31)25(32)20-11-19(28(3)4)7-9-23(20)33-24(16)14-29(5)13-18-6-8-21(26)22(27)10-18/h6-11,16-17,24,31H,12-15H2,1-5H3/t16-,17+,24-/m1/s1
InChIKeyQSGCCBXTIZPHMD-XVTZWQNCSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:113602) is a dichlorobenzene (CHEBI:23697)
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