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CHEBI:52856 - FM 4-64(2+)

ChEBI IDCHEBI:52856
ChEBI NameFM 4-64(2+)
Stars
DefinitionA pyridinium cation with a 3-(triethylammonio)propyl substituent at the 1-position and a 6-[4-(dibutylamino)phenyl]hexa-1,3,5-trien-1-yl substituent at the 4-position.
Last Modified29 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC34H53N3
Net Charge+2
Average Mass503.819
Monoisotopic Mass503.42285
SMILES[H]C(=CC([H])=Cc1cc[n+](CCC[N+](CC)(CC)CC)cc1)C=C([H])c1ccc(N(CCCC)CCCC)cc1
InChIInChI=1S/C34H53N3/c1-6-11-27-36(28-12-7-2)34-22-20-32(21-23-34)18-15-13-14-16-19-33-24-29-35(30-25-33)26-17-31-37(8-3,9-4)10-5/h13-16,18-25,29-30H,6-12,17,26-28,31H2,1-5H3/q+2
InChIKeyJGVVSBSPWPPLRS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
FM 4-64(2+) (CHEBI:52856) has role fluorochrome (CHEBI:51217)
FM 4-64(2+) (CHEBI:52856) is a pyridinium ion (CHEBI:50334)
FM 4-64(2+) (CHEBI:52856) is a quaternary ammonium ion (CHEBI:35267)
FM 4-64(2+) (CHEBI:52856) is a tertiary amine (CHEBI:32876)
Incoming Relation(s)
FM 4-64 dye (CHEBI:52078) has part FM 4-64(2+) (CHEBI:52856)
IUPAC Name 
4-{6-[4-(dibutylamino)phenyl]hexa-1,3,5-trien-1-yl}-1-[3-(triethylammonio)propyl]pyridinium