EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129503 - 3-[4-[(8S,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:129503
ChEBI Name3-[4-[(8S,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide
Stars
DownloadsMolfile
FormulaC30H41N3O3
Net Charge0
Average Mass491.676
Monoisotopic Mass491.31479
SMILESCN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CC5CCOCC5)C[C@H]34)cc2)c1
InChIInChI=1S/C30H41N3O3/c1-31(2)30(35)26-7-5-6-25(18-26)23-8-10-24(11-9-23)29-27-20-32(19-22-12-16-36-17-13-22)14-3-4-15-33(27)28(29)21-34/h5-11,18,22,27-29,34H,3-4,12-17,19-21H2,1-2H3/t27-,28-,29+/m1/s1
InChIKeyHTOXPRASVGCNJV-NLDZOOGBSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(8S,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:129503) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-41054LINCS