CHEBI:108788 - (2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
ChEBI ID CHEBI:108788
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H35N3O5
Net Charge 0
Average Mass 469.574
Monoisotopic Mass 469.25767
InChI InChI=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
InChIKey MTQIGCHWPBYMPN-QZTZHPFYSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@@H]1CN(C)CC3=CC4=C(C=C3)OCO4)[C@H](C)CO
ChEBI Ontology
Outgoing (2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:108788) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-20187 LINCS
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