CHEBI:188879 - quilostigmine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name quilostigmine
ChEBI ID CHEBI:188879
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H27N3O2
Net Charge 0
Average Mass 377.488
Monoisotopic Mass 377.21033
InChI InChI=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
InChIKey IIFRKALDATVOJE-GGAORHGYSA-N
SMILES O(C1=CC=2[C@]3([C@](N(CC3)C)(N(C2C=C1)C)[H])C)C(=O)N4CCC=5C(C4)=CC=CC5
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
116784 ChemSpider
D03823 KEGG DRUG
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Registry Number Type Source
139314-01-5 CAS Registry Number ChemIDplus