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CHEBI:188879 - quilostigmine

ChEBI IDCHEBI:188879
ChEBI Namequilostigmine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27N3O2
Net Charge0
Average Mass377.488
Monoisotopic Mass377.21033
SMILES[H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)N3CCc4ccccc4C3)ccc1N2C
InChIInChI=1S/C23H27N3O2/c1-23-11-13-24(2)21(23)25(3)20-9-8-18(14-19(20)23)28-22(27)26-12-10-16-6-4-5-7-17(16)15-26/h4-9,14,21H,10-13,15H2,1-3H3/t21-,23+/m1/s1
InChIKeyIIFRKALDATVOJE-GGAORHGYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
quilostigmine (CHEBI:188879) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
Manual XrefsDatabases
116784ChemSpider
D03823KEGG DRUG
Registry NumbersSources
CAS:139314-01-5ChemIDplus