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CHEBI:111702 - (2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one

ChEBI IDCHEBI:111702
ChEBI Name(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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DownloadsMolfile
FormulaC26H35N3O5
Net Charge0
Average Mass469.582
Monoisotopic Mass469.25767
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C26H35N3O5/c1-17-12-29(18(2)15-30)26(31)20-7-6-8-21(27(3)4)25(20)34-24(17)14-28(5)13-19-9-10-22-23(11-19)33-16-32-22/h6-11,17-18,24,30H,12-16H2,1-5H3/t17-,18+,24+/m1/s1
InChIKeyMTQIGCHWPBYMPN-YTZAWJCFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:111702) is a benzodioxoles (CHEBI:38298)
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