EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100752 - N-[(2R,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide

ChEBI IDCHEBI:100752
ChEBI NameN-[(2R,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
Stars
DownloadsMolfile
FormulaC17H21FN2O4
Net Charge0
Average Mass336.363
Monoisotopic Mass336.14854
SMILESCN(C)C(=O)C[C@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1
InChIInChI=1S/C17H21FN2O4/c1-20(2)16(22)9-13-7-8-14(15(10-21)24-13)19-17(23)11-3-5-12(18)6-4-11/h3-8,13-15,21H,9-10H2,1-2H3,(H,19,23)/t13-,14-,15+/m1/s1
InChIKeyAKLLRXAVVXEIMF-KFWWJZLASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide (CHEBI:100752) is a carbonyl compound (CHEBI:36586)
N-[(2R,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide (CHEBI:100752) is a organohalogen compound (CHEBI:17792)
Manual XrefsDatabases
LSM-12126LINCS