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CHEBI:39460 - ξ,ξ-pilocarpine

ChEBI IDCHEBI:39460
ChEBI Nameξ,ξ-pilocarpine
Stars
ASCII Namexi,xi-pilocarpine
Last Modified7 November 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC11H16N2O2
Net Charge0
Average Mass208.261
Monoisotopic Mass208.12118
SMILESCCC1C(=O)OCC1Cc1cncn1C
InChIInChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyQCHFTSOMWOSFHM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ξ,ξ-pilocarpine (CHEBI:39460) is a butan-4-olide (CHEBI:22950)
ξ,ξ-pilocarpine (CHEBI:39460) is a imidazoles (CHEBI:24780)
Incoming Relation(s)
isopilocarpine (CHEBI:39459) is a ξ,ξ-pilocarpine (CHEBI:39460)
pilocarpine (CHEBI:39462) is a ξ,ξ-pilocarpine (CHEBI:39460)
IUPAC Name 
3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
Registry NumbersSources
Beilstein:86186Beilstein