Allura Red

Basic Info

FADB-China IDC0049
Substance NameColorant
Substance Chinese Name着色剂
Molecular NameAllura Red
Molecular Chinese Name诱惑红
2D StructureNo image
CAS Number25956-17-6
PubChem CID33258
FormulaC18H14N2Na2O8S2
IUPAC NameDisodium;6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
InChI KeyCEZCCHQBSQPRMU-UHFFFAOYSA-L
InChIInChI=1S/C18H16N2O8S2.2Na/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
Canonical SMILES

CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+].[Na+]

CFM-ID 3.0URL Link
Related linksProcessing
Addition PurposesImprove color
Molecular Synonyms
        
            Allura Red AC
        
            25956-17-6
        
            Allura Red
        
            C.I. Food Red 17
        
            Food red 17
        
            Food Red No. 40
        
            FD&C Red No. 40
        
            Curry red
        
            Fancy Red
        
            Allura red AC dye
        
Data UploaderShuyu Ouyang
Update DateAug 06, 2019 11:03

Properties

Property NameProperty Value
Molecular Weight496.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Complexity809
Monoisotopic Mass495.99869633
Exact Mass495.99869633
Formal Charge0
Heavy Atom Count32
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count3

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Potential Illegal Additives

ID Structure Name Source PubChem Link


No Image

Allura red AC


T3DB


Link

References

TitleDOI/PubMed/ISSN
List of food additives that may be easily abused in food (first batch)