Molecule

(10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)methyl 5-bromopyridine-3-carboxylate

Chemical Information

Molecular Image

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
SMILES	CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br
InChI Key	YSEXMKHXIOCEJA-UHFFFAOYSA-N
Exact Mass	483.116 g/mol

5 Related Dataset(s) ⌄

Nicergoline; LC-APCI-QTOF; MS; POSITIVE

Nicergoline; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

Nicergoline; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

Nicergoline; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

Nicergoline; LC-ESI-QTOF; MS; POSITIVE

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol54228
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEBI:95219	chebi
CHEMBL4744096	chembl
30382902	surechembl
4475	pubchem
PD055374	probes_and_drugs
BNMIER	CCDC
DTXSID00860404	comptox
Molport-039-343-816	molport
The data in this table is sourced from UniChem at EBI.