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CHEBI:108904 - (2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one

ChEBI IDCHEBI:108904
ChEBI Name(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
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FormulaC19H31N3O3
Net Charge0
Average Mass349.475
Monoisotopic Mass349.23654
SMILESCNC[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C19H31N3O3/c1-13-11-22(14(2)12-23)19(24)9-15-8-16(21(4)5)6-7-17(15)25-18(13)10-20-3/h6-8,13-14,18,20,23H,9-12H2,1-5H3/t13-,14+,18+/m0/s1
InChIKeyWYKJOBISBUCKND-PMUMKWKESA-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,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:108904) is a dialkylarylamine (CHEBI:23665)
(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:108904) is a tertiary amino compound (CHEBI:50996)
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