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CHEBI:111599 - (2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one

ChEBI IDCHEBI:111599
ChEBI Name(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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DownloadsMolfile
FormulaC18H29N3O3
Net Charge0
Average Mass335.448
Monoisotopic Mass335.22089
SMILESCNC[C@H]1Oc2c(cccc2N(C)C)C(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C18H29N3O3/c1-12-10-21(13(2)11-22)18(23)14-7-6-8-15(20(4)5)17(14)24-16(12)9-19-3/h6-8,12-13,16,19,22H,9-11H2,1-5H3/t12-,13-,16-/m1/s1
InChIKeyXJHVRUWFSLOUIR-XJKCOSOUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:111599) is a dialkylarylamine (CHEBI:23665)
(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:111599) is a tertiary amino compound (CHEBI:50996)
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