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CHEBI:124687 - (2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one

ChEBI IDCHEBI:124687
ChEBI Name(2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
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FormulaC25H36N4O3
Net Charge0
Average Mass440.588
Monoisotopic Mass440.27874
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C25H36N4O3/c1-18-14-29(19(2)17-30)25(31)13-21-12-22(27(3)4)6-7-23(21)32-24(18)16-28(5)15-20-8-10-26-11-9-20/h6-12,18-19,24,30H,13-17H2,1-5H3/t18-,19-,24-/m0/s1
InChIKeyUFZWUKYQTKBBIK-JXQFQVJHSA-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)
(2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:124687) is a dialkylarylamine (CHEBI:23665)
(2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:124687) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
LSM-36129LINCS