EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:42238 - (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE

Default Structure
ChEBI IDCHEBI:42238
ChEBI Name(S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE
Stars
Last Modified2 December 2009
DownloadsMolfile
FormulaC30H46N4O2
Net Charge0
Average Mass494.724
Monoisotopic Mass494.36208
SMILES[H]c1c2c(n([H])c(=O)c1[H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[C@]1([H])c2c([H])c([H])c(=O)n([H])c2C([H])([H])C([H])([H])C1([H])[H]
InChIInChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1
InChIKeyVFFGYPZORQBRNM-UIOOFZCWSA-N
ChEBI Ontology
Outgoing Relation(s)
(S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE (CHEBI:42238) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(5S,5'S)-5,5'-(dodecane-1,12-diyldiimino)di(5,6,7,8-tetrahydroquinolin-2(1H)-one)PDBeChem
(S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDEPDBeChem
Manual XrefsDatabases
E12PDBeChem