EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:124540 - (2S,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one

ChEBI IDCHEBI:124540
ChEBI Name(2S,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
Stars
DownloadsMolfile
FormulaC19H31N3O3
Net Charge0
Average Mass349.475
Monoisotopic Mass349.23654
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)C
InChIInChI=1S/C19H31N3O3/c1-13-10-22(14(2)12-23)19(24)16-9-15(21(5)6)7-8-17(16)25-18(13)11-20(3)4/h7-9,13-14,18,23H,10-12H2,1-6H3/t13-,14+,18-/m1/s1
InChIKeyWTLSFXRNHZPOMH-QWQRMKEZSA-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)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:124540) is a dialkylarylamine (CHEBI:23665)
(2S,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:124540) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
LSM-35982LINCS