CHEBI:100622 - N-[(2S,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
ChEBI ID CHEBI:100622
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H21FN2O4
Net Charge 0
Average Mass 336.359
Monoisotopic Mass 336.14854
InChI InChI=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
InChIKey AKLLRXAVVXEIMF-QLFBSQMISA-N
SMILES CN(C)C(=O)C[C@H]1C=C[C@@H]([C@H](O1)CO)NC(=O)C2=CC=C(C=C2)F
ChEBI Ontology
Outgoing N-[(2S,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide (CHEBI:100622) is a carbonyl compound (CHEBI:36586)
N-[(2S,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide (CHEBI:100622) is a organohalogen compound (CHEBI:17792)
Manual Xref Database
LSM-11996 LINCS
View more database links