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CHEBI:8689 - Quadrigemine A

ChEBI IDCHEBI:8689
ChEBI NameQuadrigemine A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC44H50N8
Net Charge0
Average Mass690.940
Monoisotopic Mass690.41584
SMILES[H]C12Nc3ccccc3C1(c1cccc3c1NC1([H])N(C)CCC31C13CCN(C)C1([H])Nc1c(C45CCN(C)C4([H])Nc4ccccc45)cccc13)CCN2C
InChIInChI=1S/C44H50N8/c1-49-23-19-41(27-11-5-7-17-33(27)45-37(41)49)29-13-9-15-31-35(29)47-39-43(31,21-25-51(39)3)44-22-26-52(4)40(44)48-36-30(14-10-16-32(36)44)42-20-24-50(2)38(42)46-34-18-8-6-12-28(34)42/h5-18,37-40,45-48H,19-26H2,1-4H3
InChIKeyXRCKDTICIIHERM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Quadrigemine A (CHEBI:8689) is a pyrroloindole (CHEBI:48133)
Synonym  Source
Quadrigemine AKEGG COMPOUND
Manual XrefsDatabases
C09234KEGG COMPOUND
C00001760KNApSAcK
Registry NumbersSources
CAS:69937-02-6KEGG COMPOUND