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CHEBI:123817 - (2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one

ChEBI IDCHEBI:123817
ChEBI Name(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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FormulaC26H35N3O5
Net Charge0
Average Mass469.582
Monoisotopic Mass469.25767
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(N(C)C)cc2C1=O
InChIInChI=1S/C26H35N3O5/c1-17-12-29(18(2)15-30)26(31)21-11-20(27(3)4)7-9-22(21)34-25(17)14-28(5)13-19-6-8-23-24(10-19)33-16-32-23/h6-11,17-18,25,30H,12-16H2,1-5H3/t17-,18+,25+/m0/s1
InChIKeyMBHGKJGFOSPGKL-YYULODDRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:123817) is a benzodioxoles (CHEBI:38298)
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