CHEBI:72811 - dimethylindole red

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ChEBI Name dimethylindole red
ChEBI ID CHEBI:72811
Definition A fluorogenic cyanine dye in which N-(3-sulfopropyl)quinolinium is linked to a 1,3,3-trimethyldihydroindole via a propan-1-yl-3-ylidene chain to form a conjugated system.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H28N2O3S
Net Charge 0
Average Mass 448.57700
Monoisotopic Mass 448.18206
InChI InChI=1S/C26H28N2O3S/c1-26(2)22-12-5-7-14-24(22)27(3)25(26)15-8-10-20-16-18-28(17-9-19-32(29,30)31)23-13-6-4-11-21(20)23/h4-8,10-16,18H,9,17,19H2,1-3H3
InChIKey NTABMUJQZABQGD-UHFFFAOYSA-N
SMILES CN1c2ccccc2C(C)(C)\C1=C/C=C/c1cc[n+](CCCS([O-])(=O)=O)c2ccccc12
Roles Classification
Application(s): fluorescent dye

dye

(via cyanine dye )
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ChEBI Ontology
Outgoing dimethylindole red (CHEBI:72811) has role fluorescent dye (CHEBI:51121)
dimethylindole red (CHEBI:72811) is a cyanine dye (CHEBI:37960)
dimethylindole red (CHEBI:72811) is a quaternary ammonium salt (CHEBI:35273)
dimethylindole red (CHEBI:72811) is a zwitterion (CHEBI:27369)
IUPAC Name
3-{4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinolinium-1-yl}propane-1-sulfonate
Synonyms Sources
1-(3-sulfopropyl)-4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinolinium PDBeChem
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DIW PDBeChem
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Registry Number Type Source
18882060 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22390683 PubMed citation Europe PMC
Last Modified
20 March 2013