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CHEBI:31902 - Nicergoline

ChEBI IDCHEBI:31902
ChEBI NameNicergoline
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC24H26BrN3O3
Net Charge0
Average Mass484.394
Monoisotopic Mass483.11575
SMILES[H][C@@]12Cc3cn(C)c4cccc(c34)[C@@]1(OC)C[C@@H](COC(=O)c1cncc(Br)c1)CN2C
InChIInChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1
InChIKeyYSEXMKHXIOCEJA-FVFQAYNVSA-N
ChEBI Ontology
Outgoing Relation(s)
Nicergoline (CHEBI:31902) is a organic heterotetracyclic compound (CHEBI:38163)
Nicergoline (CHEBI:31902) is a organonitrogen heterocyclic compound (CHEBI:38101)
Synonyms  Source
10-methoxy-1,6-dimethylergoline-8β-methanol 5-bromonicotinateChemIDplus
(8β)-10-methoxy-1,6-dimethylergoline-8-methanol 5-bromo-3-pyridinecarboxylate (ester)ChemIDplus
nicergolentDrugCentral
nicotergolineDrugCentral
duracebrolDrugCentral
cergodumDrugCentral
Manual XrefsDatabases
D01290KEGG DRUG
LSM-3720LINCS
1910DrugCentral
HMDB0014837HMDB
Registry NumbersSources
Beilstein:903548Beilstein
CAS:27848-84-6KEGG COMPOUND
CAS:27848-84-6ChemIDplus