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tetrasulfocyanine
An organic sodium salt which is the trisodium salt of tetrasulfocyanine acid. It is an in vivo near-IR fluorescent probe for tumour imaging.


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05. Industrial Uses: probe [CHEBI:50406]
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05. Industrial Uses 
05. Industrial Uses
 probe [CHEBI:50406] (10) 
 fluorescent probe [CHEBI:39442] (10) 
 tetrasulfocyanine [CHEBI:63639] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 s-block molecular entity [CHEBI:33674] (7287) 
 alkali metal molecular entity [CHEBI:33296] (279) 
 sodium molecular entity [CHEBI:26712] (216) 
 sodium salt [CHEBI:26714] (213) 
 organic sodium salt [CHEBI:38700] (187) 
 tetrasulfocyanine [CHEBI:63639] (1)
 alkali metal salt [CHEBI:35479] (248) 
 sodium salt [CHEBI:26714] (213) 
 organic sodium salt [CHEBI:38700] (187) 
 tetrasulfocyanine [CHEBI:63639] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 salt [CHEBI:24866] (931) 
 organic salt [CHEBI:24868] (775) 
 organic sodium salt [CHEBI:38700] (187) 
 tetrasulfocyanine [CHEBI:63639] (1)
 alkali metal salt [CHEBI:35479] (248) 
 sodium salt [CHEBI:26714] (213) 
 organic sodium salt [CHEBI:38700] (187) 
 tetrasulfocyanine [CHEBI:63639] (1)
ChEBI Compound Accession Identifier  [CHEBI:63639]
ChEBI Compound Description  An organic sodium salt which is the trisodium salt of tetrasulfocyanine acid. It is an in vivo near-IR fluorescent probe for tumour imaging.
ChEBI Compound Identification Number  63639
ChEBI InChI Value  "InChI=1S/C32H38N2O12S4.3Na/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40;;;/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46);;;/q;3*+1/p-3"
ChEBI InChIKey Value  HAFZTWYRKGACLU-UHFFFAOYSA-K
ChEBI Compound Name  tetrasulfocyanine
ChEBI SMILES Value  [Na+].[Na+].[Na+].CC(\C=C\C=C1\N(CCS([O-])(=O)=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O)=C/C=C/C1=[N+](CCS([O-])(=O)=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O
ChEBI Substance ID  135611116
ChEBI URL  ChEBI:63639
ChemSpider ID  8299062
Ontomatica Chemical Accession Key (OnChAKey)  HAFZTWYRKGACLU_UHFFFAOYSA_K_000_000000
PubChem Compound ID  10123543