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CHEBI:48883 - physostigmine salicylate

ChEBI IDCHEBI:48883
ChEBI Namephysostigmine salicylate
Stars
Last Modified2 June 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H21N3O2.C7H6O3
Net Charge0
Average Mass413.474
Monoisotopic Mass413.19507
SMILESO=C(O)c1ccccc1O.[H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C
InChIInChI=1S/C15H21N3O2.C7H6O3/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)/t13-,15+;/m1./s1
InChIKeyHZOTZTANVBDFOF-PBCQUBLHSA-N
ChEBI Ontology
Outgoing Relation(s)
physostigmine salicylate (CHEBI:48883) has part physostigmine (CHEBI:27953)
physostigmine salicylate (CHEBI:48883) is a azaheterocycle salicylate salt (CHEBI:48884)
physostigmine salicylate (CHEBI:48883) is a salicylates (CHEBI:26596)
IUPAC Name 
(3aS,8aR)-1,3a,8-trimethyl-5-(methylcarbamoyloxy)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indolium salicylate
Brand Name  Source
AntiliriumKEGG DRUG
Manual XrefsDatabases
D02418KEGG DRUG