FD&C; RED NO. 3

Relevant Data

Food Additives Approved by WHO:

ERYTHROSINE [show]

Food Additives Approved by European Union:

Erythrosine [show]

General Information

Mainterm	FD&C; RED NO. 3
Doc Type	ASP
CAS Reg.No.(or other ID)	16423-68-0
Regnum	81.10 74.1303 74.303

From www.fda.gov

Computed Descriptors

2D Structure
CID	12961638
IUPAC Name	disodium;2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
InChI	InChI=1S/C20H8I4O5.2Na/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;;/h1-6,25-26H;;/q;2*+1/p-2
InChI Key	RAGZEDHHTPQLAI-UHFFFAOYSA-L
Canonical SMILES	C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.[Na+].[Na+]
Molecular Formula	C20H6I4Na2O5H2O
Wikipedia	erythrosine sodium anhydrous

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	879.86
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Complexity	645.0
CACTVS Substructure Key Fingerprint	A A A D c Y B 4 O D A A A 4 A A A A A A A A A A A A A A A S A A A A A 0 Y M E A A A A A A E i R U A A A G g A g A A A A D E S C m A A w D o A A B A C I A i D S C A A C C A A k I A A I i A E E C M g M J z K E N R q C O S C l w B U I q Y e K 6 P y O o A A A C A A Y A A B A A A A Q A D A A A A A A A A A A A A = =
Topological Polar Surface Area	81.6
Monoisotopic Mass	879.619
Exact Mass	879.619
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	31
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Dibenzopyrans
Direct Parent	Xanthenes
Alternative Parents	Carboxylic acid esters Phenoxides Monocarboxylic acids and derivatives Hydrocarbon derivatives Phthalides Lactones Isobenzofurans Organic oxides Organic zwitterions Organic sodium salts Benzofuranones Organoiodides Aryl iodides Oxacyclic compounds Diarylethers Organic metal halides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Xanthene - Diaryl ether - Benzofuranone - Isobenzofuranone - Phthalide - Isocoumaran - Isobenzofuran - Phenoxide - Aryl halide - Aryl iodide - Benzenoid - Carboxylic acid ester - Lactone - Organic metal halide - Carboxylic acid derivative - Oxacycle - Ether - Organic alkali metal salt - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organoiodide - Organooxygen compound - Organic sodium salt - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

From ClassyFire