EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:41226 - 3-[4-(2-pyrrolidin-1-ylethoxy)benzyl]-2-[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1-benzothiophen-6-ol

ChEBI IDCHEBI:41226
ChEBI Name3-[4-(2-pyrrolidin-1-ylethoxy)benzyl]-2-[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1-benzothiophen-6-ol
Stars
Last Modified9 October 2007
DownloadsMolfile
FormulaC32H37N3O3S
Net Charge0
Average Mass543.733
Monoisotopic Mass543.25556
SMILES[H]Oc1c([H])c([H])c2c(C([H])([H])c3c([H])c([H])c(OC([H])([H])C([H])([H])N4C([H])([H])C([H])([H])C([H])([H])C4([H])[H])c([H])c3[H])c(-c3c([H])nc(OC([H])([H])C([H])([H])N4C([H])([H])C([H])([H])C([H])([H])C4([H])[H])c([H])c3[H])sc2c1[H]
InChIInChI=1S/C32H37N3O3S/c36-26-8-11-28-29(21-24-5-9-27(10-6-24)37-19-17-34-13-1-2-14-34)32(39-30(28)22-26)25-7-12-31(33-23-25)38-20-18-35-15-3-4-16-35/h5-12,22-23,36H,1-4,13-21H2
InChIKeyKEDLOQLGBOISAT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-(2-pyrrolidin-1-ylethoxy)benzyl]-2-[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1-benzothiophen-6-ol (CHEBI:41226) is a N-alkylpyrrolidine (CHEBI:46775)
3-[4-(2-pyrrolidin-1-ylethoxy)benzyl]-2-[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1-benzothiophen-6-ol (CHEBI:41226) is a 1-benzothiophenes (CHEBI:38836)
Synonym  Source
3-[4-(2-pyrrolidin-1-ylethoxy)benzyl]-2-[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1-benzothiophene-6-olPDBeChem
Manual XrefsDatabases
BT3PDBeChem