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CHEBI:124817 - (2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one

ChEBI IDCHEBI:124817
ChEBI Name(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
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DownloadsMolfile
FormulaC27H37N3O5
Net Charge0
Average Mass483.609
Monoisotopic Mass483.27332
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(N(C)C)cc2CC1=O
InChIInChI=1S/C27H37N3O5/c1-18-13-30(19(2)16-31)27(32)12-21-11-22(28(3)4)7-9-23(21)35-26(18)15-29(5)14-20-6-8-24-25(10-20)34-17-33-24/h6-11,18-19,26,31H,12-17H2,1-5H3/t18-,19+,26+/m0/s1
InChIKeyVAKWQMKHOINUIK-GNBJCERTSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:124817) is a benzodioxoles (CHEBI:38298)
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