CHEBI:39458 - (+)-isopilocarpine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (+)-isopilocarpine
ChEBI ID CHEBI:39458
Stars This entity has been manually annotated by the ChEBI Team.
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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/t8-,10+/m0/s1
InChIKey QCHFTSOMWOSFHM-WCBMZHEXSA-N
SMILES CC[C@@H]1[C@H](COC1=O)Cc1cncn1C
ChEBI Ontology
Outgoing (+)-isopilocarpine (CHEBI:39458) is a isopilocarpine (CHEBI:39459)
(+)-isopilocarpine (CHEBI:39458) is enantiomer of (−)-isopilocarpine (CHEBI:39461)
Incoming (−)-isopilocarpine (CHEBI:39461) is enantiomer of (+)-isopilocarpine (CHEBI:39458)
IUPAC Name
(3R,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
Synonyms Sources
(+)-isopilocarpine ChemIDplus
3-isopilocarpine ChemIDplus
β-pilocarpine ChemIDplus
Manual Xref Database
LSM-15522 LINCS
View more database links
Registry Numbers Types Sources
531-35-1 CAS Registry Number ChemIDplus
86188 Beilstein Registry Number Beilstein
Last Modified
25 February 2016