Sudan I

Basic Info

FADB-China IDC0019
Substance NameIndustry Dyes
Substance Chinese Name工业染料
Molecular NameSudan I
Molecular Chinese Name苏丹红I
2D StructureNo image
CAS Number842-07-9
PubChem CID13297
FormulaC16H12N2O
IUPAC Name1-phenyldiazenylnaphthalen-2-ol
InChI KeyMRQIXHXHHPWVIL-UHFFFAOYSA-N
InChIInChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H
Canonical SMILES

C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O

CFM-ID 3.0URL Link
Related linksProcessing, Circulation
Addition PurposesImprove color
Molecular Synonyms
        
            Sudan I
        
            842-07-9
        
            Solvent Yellow 14
        
            C.I. Solvent Yellow 14
        
            Grasal Orange
        
            Spirit Orange
        
            Fast Orange
        
            Oil Orange
        
            1-(Phenylazo)-2-naphthalenol
        
            1-Phenylazo-2-naphthol
Data UploaderShuyu Ouyang
Update DateJul 25, 2019 20:46

Properties

Property NameProperty Value
Molecular Weight248.28
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Complexity312
Monoisotopic Mass248.09496302
Exact Mass248.09496302
XLogP4.1
Formal Charge0
Heavy Atom Count19
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.9227
Human Intestinal AbsorptionHIA+0.9967
Caco-2 PermeabilityCaco2+0.6416
P-glycoprotein SubstrateNon-substrate0.7941
P-glycoprotein InhibitorNon-inhibitor0.5743
Non-inhibitor0.8045
Renal Organic Cation TransporterNon-inhibitor0.8286
Distribution
Subcellular localizationMitochondria0.7635
Metabolism
CYP450 2C9 SubstrateNon-substrate0.7212
CYP450 2D6 SubstrateNon-substrate0.7795
CYP450 3A4 SubstrateNon-substrate0.5951
CYP450 1A2 InhibitorInhibitor0.9225
CYP450 2C9 InhibitorInhibitor0.5690
CYP450 2D6 InhibitorNon-inhibitor0.7778
CYP450 2C19 InhibitorInhibitor0.5242
CYP450 3A4 InhibitorNon-inhibitor0.8971
CYP Inhibitory PromiscuityHigh CYP Inhibitory Promiscuity0.6311
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.7405
Non-inhibitor0.8381
AMES ToxicityAMES toxic0.7415
CarcinogensNon-carcinogens0.6364
Fish ToxicityHigh FHMT0.9895
Tetrahymena Pyriformis ToxicityHigh TPT0.9604
Honey Bee ToxicityLow HBT0.5765
BiodegradationNot ready biodegradable0.9860
Acute Oral ToxicityIII0.6731
Carcinogenicity (Three-class)Warning0.5583

ADMET -- Regression

Model Value Unit
Aqueous solubility-4.1275LogS
Caco-2 Permeability1.6157LogPapp, cm/s
Rat Acute Toxicity2.0377LD50, mol/kg
Fish Toxicity0.2510pLC50, mg/L
Tetrahymena Pyriformis Toxicity1.2946pIGC50, ug/L

Related Foods

FADB-China ID F0016
Food Image No Pictures
Food Name Paprika
Food Chinese Name 辣椒粉
Food Type Processed food
References List of non-edible substances that may be illegally added in food (first batch)
FADB-China ID F0017
Food Image No Pictures
Food Name Foods containing chilies
Food Chinese Name 含辣椒类的食物
Food Type Processed food
References List of non-edible substances that may be illegally added in food (first batch)

Potential Illegal Additives

ID Structure Name Source PubChem Link


No Image

Sudan Brown RR		 

IARC Carcinogens Group 3

Link


No Image

Yellow AB		 

IARC Carcinogens Group 3

Link


No Image

Yellow OB		 

IARC Carcinogens Group 3

Link

References

TitleDOI/PubMed/ISSN
Application of nuclear magnetic resonance spectroscopy in food adulteration determination: the example of Sudan dye I in paprika powder. 28572641
Determination of Sudan I in paprika powder by molecularly imprinted polymers-thin layer chromatography-surface enhanced Raman spectroscopic biosensor. 26078169
Simultaneous determination of eight illegal dyes in chili products by liquid chromatography-tandem mass spectrometry. 24212142
List of non-edible substances that may be illegally added in food (first batch)