CHEBI:39460 - ξ,ξ-pilocarpine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ξ,ξ-pilocarpine
ChEBI ID CHEBI:39460
ChEBI ASCII Name xi,xi-pilocarpine
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H16N2O2
Net Charge 0
Average Mass 208.25702
Monoisotopic Mass 208.12118
InChI InChI=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
InChIKey QCHFTSOMWOSFHM-UHFFFAOYSA-N
SMILES CCC1C(COC1=O)Cc1cncn1C
ChEBI Ontology
Outgoing ξ,ξ-pilocarpine (CHEBI:39460) is a butan-4-olide (CHEBI:22950)
ξ,ξ-pilocarpine (CHEBI:39460) is a imidazoles (CHEBI:24780)
Incoming 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 Number Type Source
86186 Beilstein Registry Number Beilstein
Last Modified
07 November 2007