CHEBI:31902 - Nicergoline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Nicergoline
ChEBI ID CHEBI:31902
Stars This entity has been manually annotated by a third party.
Supplier Information eMolecules:10344509, ZINC000004654776
Download Molfile XML SDF
Formula C24H26BrN3O3
Net Charge 0
Average Mass 484.38566
Monoisotopic Mass 483.11575
InChI InChI=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
InChIKey YSEXMKHXIOCEJA-FVFQAYNVSA-N
SMILES [H][C@@]12Cc3cn(C)c4cccc(c34)[C@]1(C[C@@H](COC(=O)c1cncc(Br)c1)CN2C)OC
ChEBI Ontology
Outgoing Nicergoline (CHEBI:31902) is a organic heterotetracyclic compound (CHEBI:38163)
Nicergoline (CHEBI:31902) is a organonitrogen heterocyclic compound (CHEBI:38101)
Synonyms Sources
(8β)-10-methoxy-1,6-dimethylergoline-8-methanol 5-bromo-3-pyridinecarboxylate (ester) ChemIDplus
10-methoxy-1,6-dimethylergoline-8β-methanol 5-bromonicotinate ChemIDplus
cergodum DrugCentral
duracebrol DrugCentral
nicergolent DrugCentral
nicotergoline DrugCentral
Manual Xrefs Databases
1910 DrugCentral
D01290 KEGG DRUG
HMDB0014837 HMDB
LSM-3720 LINCS
View more database links
Registry Numbers Types Sources
27848-84-6 CAS Registry Number ChemIDplus
903548 Beilstein Registry Number Beilstein
Last Modified
22 February 2017