U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H14N2O7S2.2Na
Molecular Weight 480.422
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of FD&C RED NO. 4

SMILES

[Na+].[Na+].CC1=CC(C)=C(C=C1S([O-])(=O)=O)\N=N\C2=CC(=C3C=CC=CC3=C2O)S([O-])(=O)=O

InChI

InChIKey=ONTQJDKFANPPKK-LLIZZRELSA-L
InChI=1S/C18H16N2O7S2.2Na/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;;

HIDE SMILES / InChI

Molecular Formula C18H14N2O7S2
Molecular Weight 434.443
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

FD&C Red 4 is a synthetic dye produced from petroleum. It is a red coloring pigment, soluble in water. This dye is FDA-approved for use in food, pharmaceuticals, cosmetics and medical devices. Cosmetics applications include: alcoholic perfumes, decorative cosmetics, toilet soap, syndet and liquid tensid products.

Approval Year

Substance Class Chemical
Record UNII
X3W0AM1JLX
Record Status Validated (UNII)
Record Version