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CHEBI:124902 - N-[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide

ChEBI IDCHEBI:124902
ChEBI NameN-[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide
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FormulaC19H31N3O5S
Net Charge0
Average Mass413.540
Monoisotopic Mass413.19844
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@H]1CN(C)S(C)(=O)=O
InChIInChI=1S/C19H31N3O5S/c1-13-10-22(14(2)12-23)19(24)16-9-15(20(3)4)7-8-17(16)27-18(13)11-21(5)28(6,25)26/h7-9,13-14,18,23H,10-12H2,1-6H3/t13-,14-,18+/m1/s1
InChIKeyBWBCCZYHDOLGJF-LBTNJELSSA-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)
N-[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide (CHEBI:124902) is a dialkylarylamine (CHEBI:23665)
N-[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide (CHEBI:124902) is a tertiary amino compound (CHEBI:50996)
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