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Details

Stereochemistry ACHIRAL
Molecular Formula C16H9N4O9S2.3Na
Molecular Weight 534.363
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of FD&C YELLOW NO. 5

SMILES

[Na+].[Na+].[Na+].OC1=C(\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)C(=NN1C3=CC=C(C=C3)S([O-])(=O)=O)C([O-])=O

InChI

InChIKey=YXHBBEQKMVAJOH-GLCFPVLVSA-K
InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 3 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H9N4O9S2
Molecular Weight 465.394
Charge -3
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description

FD&C Yellow No. 5 (Tartrazine, Colour Index No. 19140) is a color additive permitted in the United States for coloring foods (including dietary supplements), ingested and externally applied drugs, and cosmetics. It is a nitrous derivative and is known to cause allergic reactions such as asthma and urticaria, as well as having been the focus of studies on mutagenesis and carcinogenesis due to its transformation into aromatic amine sulfanilic acid after being metabolized by the gastrointestinal microflora.

Approval Year

Substance Class Chemical
Record UNII
I753WB2F1M
Record Status Validated (UNII)
Record Version