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EC number: 204-984-4 | CAS number: 130-26-7
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Repeated dose toxicity: oral
Administrative data
- Endpoint:
- sub-chronic toxicity: oral
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- 536 mg/kg/day; Estimation for effect LOEL for CAS 130-26-7
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 014
- Bibliographic source:
- SSS QSAR Prediction Team
Materials and methods
Test guideline
- Guideline:
- other: NTP long-term;OECD TG 422;OECD TG 407
- Principles of method if other than guideline:
- Prediction using category approach; QSAR Toolbox 3.1; Read Across; 5 nearest analogues; Log Kow as descriptor
- GLP compliance:
- no
Test material
- Reference substance name:
- Clioquinol
- EC Number:
- 204-984-4
- EC Name:
- Clioquinol
- Cas Number:
- 130-26-7
- Molecular formula:
- C9H5ClINO
- IUPAC Name:
- 5-chloro-7-iodoquinolin-8-ol
- Details on test material:
- SMILES:c1(I)c(O)c2c(c(Cl)c1)cccn2
Constituent 1
Test animals
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- male
Administration / exposure
- Route of administration:
- oral: gavage
- Duration of treatment / exposure:
- 42 days
- Control animals:
- yes, concurrent vehicle
Results and discussion
Results of examinations
- Histopathological findings: non-neoplastic:
- effects observed, treatment-related
- Description (incidence and severity):
- changes were observed
Effect levels
- Dose descriptor:
- LOEL
- Effect level:
- 536 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- male
- Basis for effect level:
- other: Histopathological findings were observed
Target system / organ toxicity
- Critical effects observed:
- not specified
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: LOEL,"NOEL calculated",NOEL,"study LOEL","effect LOEL","study NOEL"
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((("a" or "b" or "c" or "d" or "e" or "f" or "g" ) and ("h" and ( not "i") ) ) and "j" ) and ("k" and ( not "l") ) ) and "m" ) and ("n" and ( not "o") ) ) and ("p" and "q" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Phenols (Acute toxicity) by US-EPA New Chemical Categories
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Aromatic heterocyclic halide AND Aryl AND Aryl halide AND Fused carbocyclic aromatic AND Fused heterocyclic aromatic AND Phenol AND Pyridine AND Quinoline/ Isoquinoline by Organic functional groups
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Aromatic heterocyclic halide AND Aryl halide AND Overlapping groups AND Phenol AND Quinoline/ Isoquinoline by Organic functional groups (nested)
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Alcohol, olefinic attach [-OH] AND Aromatic Carbon [C] AND Aromatic Nitrogen AND Chlorine, aromatic attach [-Cl] AND Chlorine, olefinic attach [-Cl] AND Hydroxy, aromatic attach [-OH] AND Iodide, aromatic attach [-I] AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] by Organic functional groups (US EPA)
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Aromatic compound AND Aryl chloride AND Aryl halide AND Aryl iodide AND Halogen derivative AND Hydroxy compound AND Phenol by Organic functional groups, Norbert Haider (checkmol)
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O AND Group 17 - Halogens Cl AND Group 17 - Halogens F,Cl,Br,I,At AND Group 17 - Halogens I by Chemical elements
Domain logical expression index: "g"
Similarity boundary:Target: c1(I)c(O)c2c(c(Cl)c1)cccn2
Threshold=50%,
Dice(Atom centered fragments)
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Acyl transfer via nucleophilic addition reaction OR Acylation >> Acyl transfer via nucleophilic addition reaction >> Isocyanates and isothiocyanates OR Acylation >> Direct acylation involving a leaving group OR Acylation >> Direct acylation involving a leaving group >> Acyl azides OR Acylation >> Direct acylation involving a leaving group >> Acyl halide of carboxylic acids OR Acylation >> Direct acylation involving a leaving group >> Carbamates OR Acylation >> Direct acylation involving a leaving group >> N-acylamides OR Acylation >> Direct acylation involving a leaving group >> Sulphonyl azides OR Acylation >> Direct acylation involving a leaving group >> Sulphonyl halides OR Acylation >> Ester aminolysis OR Acylation >> Ester aminolysis >> Amides OR Acylation >> Ester aminolysis >> Dithiocarbamates OR Acylation >> Ester aminolysis >> Dithioesters OR Acylation >> Ester aminolysis or thiolysis OR Acylation >> Ester aminolysis or thiolysis >> Activated alkyl or aryl esters OR Acylation >> Ester aminolysis or thiolysis >> Diarylesters OR Acylation >> Ring opening acylation OR Acylation >> Ring opening acylation >> Active cyclic agents OR Ionic OR Ionic >> Electrostatic interaction of tetraalkylammonium ions with protein carboxylates OR Ionic >> Electrostatic interaction of tetraalkylammonium ions with protein carboxylates >> Tetraalkylammonium ions OR Michael addition OR Michael addition >> a,b-unsaturated carbonyl compounds OR Michael addition >> a,b-unsaturated carbonyl compounds >> a,b-unsatuarted aldehydes OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group >> alpha,beta-carbonyl compounds with polarized double bonds OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group >> Cyanoalkenes OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group >> Nitroalkenes OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group >> Vinyl sulfonyl compounds OR Michael addition >> Michael type addition on vinyl pirydines and activated ethenylarenes OR Michael addition >> Michael type addition on vinyl pirydines and activated ethenylarenes >> Activated electrophilic ethenylarenes OR Michael addition >> Michael type addition on vinyl pirydines and activated ethenylarenes >> Vinyl pyridines OR Michael addition >> Quinone type compounds OR Michael addition >> Quinone type compounds >> Naphtoquinone and naphtoquinone imines OR Michael addition >> Quinone type compounds >> Quinone (di)imines OR Michael addition >> Quinone type compounds >> Quinone methides OR Michael addition >> Quinone type compounds >> Quinones OR Nucleophilic addition OR Nucleophilic addition >> Addition to Carbon-hetero double/triple bond OR Nucleophilic addition >> Addition to Carbon-hetero double/triple bond >> Ketones OR Nucleophilic addition >> Addition to Carbon-hetero double/triple bond >> Thiocyanates OR Nucleophilic addition >> Nucleophilic addition at polarized N-functional double bond OR Nucleophilic addition >> Nucleophilic addition at polarized N-functional double bond >> C-Nitroso compounds OR Radical OR Radical >> Free radical formation OR Radical >> Free radical formation >> Organic peroxy compounds OR Schiff base formation OR Schiff base formation >> Nucleophilic cycloaddition to diketones OR Schiff base formation >> Nucleophilic cycloaddition to diketones >> Diketones OR Schiff base formation >> Pyrazolones and pyrazolidinones derivatives OR Schiff base formation >> Pyrazolones and pyrazolidinones derivatives >> Pyrazolones and pyrazolidinones OR Schiff base formation >> Schiff base formation with carbonyl compounds OR Schiff base formation >> Schiff base formation with carbonyl compounds >> Aldehydes OR SN1 OR SN1 >> Nucleophilic substitution (SN1) on alkyl (aryl) mercury cations OR SN1 >> Nucleophilic substitution (SN1) on alkyl (aryl) mercury cations >> Mercury compounds OR SN2 OR SN2 >> Interchange reaction with sulphur containing compounds OR SN2 >> Interchange reaction with sulphur containing compounds >> Thiols and disulfide compounds OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Activated alkyl esters OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> alpha-activated haloalkanes OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> alpha-haloalkanes OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Phosphonates OR SN2 >> Nucleophilic substitution on benzylic carbon atom OR SN2 >> Nucleophilic substitution on benzylic carbon atom >> alpha-activated benzyls OR SN2 >> Nucleophilic substitution on benzylic carbon atom >> Benzylic esters OR SN2 >> Nucleophilic substitution on heterocyclic sulfenamides OR SN2 >> Nucleophilic substitution on heterocyclic sulfenamides >> Heterocyclic sulfenamides OR SN2 >> Ring opening SN2 reaction OR SN2 >> Ring opening SN2 reaction >> Epoxides, Aziridines and Sulfuranes OR SNAr OR SNAr >> Nucleophilic aromatic substitution on activated halogens OR SNAr >> Nucleophilic aromatic substitution on activated halogens >> Activated haloarenes by Protein binding by OASIS v1.1
Domain logical expression index: "j"
Referential boundary: The target chemical should be classified as Very fast by Bioaccumulation - metabolism half-lives
Domain logical expression index: "k"
Referential boundary: The target chemical should be classified as Aromatic compound AND Aryl chloride AND Aryl halide AND Aryl iodide AND Halogen derivative AND Hydroxy compound AND Phenol by Organic functional groups, Norbert Haider (checkmol)
Domain logical expression index: "l"
Referential boundary: The target chemical should be classified as 1,2-aminoalcohol OR 1,2-diol OR 1,2-diphenol OR Acetal OR Alcohol OR Alkyl chloride OR Alkyl fluoride OR Alkyl halide OR Alkylarylether OR Alkyne OR Alpha-aminoacid OR Alpha-hydroxyacid OR Amine OR Anion OR Aryl bromide OR Aryl fluoride OR Azide OR Azo compound OR Boronic acid OR Boronic acid derivative OR Carbonic acid derivative OR Carbonyl compound OR Carboxylic acid OR Carboxylic acid amide OR Carboxylic acid amidine OR Carboxylic acid derivative OR Carboxylic acid ester OR Carboxylic acid hydrazine OR Carboxylic acid prim. amide OR Carboxylic acid salt OR Carboxylic acid sec. amide OR Carboxylic acid tert. amide OR Cation OR CO2 derivative (general) OR Dialkylether OR Diarylether OR Ether OR Hemiacetal OR Heterocyclic compound OR Hydrazine derivative OR Hydroxamic acid OR Hydroxylamine OR Imine OR Ketone OR Lactam OR Lactone OR Nitrile OR Nitro compound OR No functional group found OR N-oxide OR Organometallic compound OR Oxime OR Oxime ether OR Phosphonic acid OR Phosphonic acid derivative OR Phosphonic acid ester OR Phosphoric acid derivative OR Phosphoric acid ester OR Primary alcohol OR Primary aliphatic amine OR Primary amine OR Primary aromatic amine OR Quaternary ammonium salt OR Secondary alcohol OR Secondary aliphatic amine OR Secondary amine OR Secondary aromatic amine OR Secondary mixed amine (aryl, alkyl) OR Semicarbazone OR Sufoxide OR Sulfenic acid derivative OR Sulfinic acid derivative OR Sulfonamide OR Sulfone OR Sulfonic acid OR Sulfonic acid derivative OR Sulfonic acid ester OR Sulfuric acid OR Sulfuric acid derivative OR Sulfuric acid monoester OR Tertiary alcohol OR Tertiary aliphatic amine OR Tertiary amine OR Tertiary mixed amine OR Thiocarbonic acid derivative OR Thiocarboxylic acid amide OR Thiocarboxylic acid derivative OR Thioether OR Thiosemicarbazone by Organic functional groups, Norbert Haider (checkmol)
Domain logical expression index: "m"
Similarity boundary:Target: c1(I)c(O)c2c(c(Cl)c1)cccn2
Threshold=20%,
Dice(Atom centered fragments)
Domain logical expression index: "n"
Referential boundary: The target chemical should be classified as No alert found by rtER Expert System ver.1 - USEPA
Domain logical expression index: "o"
Referential boundary: The target chemical should be classified as Alkylphenols OR Mixed Phenols by rtER Expert System ver.1 - USEPA
Domain logical expression index: "p"
Parametric boundary:The target chemical should have a value of log Kow which is >= 2.61
Domain logical expression index: "q"
Parametric boundary:The target chemical should have a value of log Kow which is <= 4.04
Applicant's summary and conclusion
- Conclusions:
- The LOEL (low observed effect level ) value of Clioquinol in rats was observed at a dose level of 536 mg/kg body weight/day.
- Executive summary:
WoE Summary for Cas: 130-26-7
The NOAEL value of clioquinolisestimated to be 536 mg/kg bw/day (nominal) for duration of 42 days on rat using the toolbox version 3.2.
The data is estimated to be based on the data summarized below
Sr no.
CAS no
End point
Value
Species
Doses
Duration
Effects
Remarks
1
527-60-6
LOEL
60 mg/kg bw/day
Rat
NA
42 days
Hyperplasia/Thickneing epithelium
2
2416-94-6
LOAEL
13500 mg/kg bw/day (actual dose received)
Rat
55, 273, 1346 mg/kg bw/d
28 days
Decrease in hematocrit in females
2416-94-6
LOAEL
273 mg/kg bw/day (actual dose received)
Rat
55, 273, 1346 mg/kg bw/d
28 days
Decrease in hematocrit in females
3
136-77-6
NOEL
62.5 mg/kg/day
Mouse
0,62.5, 125,250,500, 1000 mg/kg/da
91 days
Renal effects
136-77-6
LOEL
125 mg/kg/day
Mouse
0,62.5, 125,250,500, 1000 mg/kg/da
91 days
Renal effects
136-77-6
LOEL
500 mg/kg/day
Rat
0,62.5, 125,250,500, 1000 mg/kg/da
91 days
Renal effects
4
700-13-0
LOAEL
400 mg/kg bw/day (nominal)
Rat
45, 125, 400 mg/kg bw/d
28 days
increased severities of extramedullary haemopoiesis, characterised as essentially erythropoiesis
5
576-26-1
Study LOEL
184 mg/kg/day
Rat
0.00, 67.00, 200.00, 670.00
14 days
-
576-26-1
Study LOEL
100 mg/kg/day
Rat
0.00, 67.00, 200.00, 670.00
28 days
Mortality
The above table consist of various repeated dose (oral) toxicity studies available for the read across substances for CAS: 130-26-7.Based on the above results it can be observed that LOAEL or LOEL values are in the range of 60 – 1350 mg/kg bw./day for rat & mouse and NOEl value was found to be 62.5 mg/kg/day for mouse . The effects observed on the above doses are listed as follows.
· Hyperplasia/Thickneing epithelium
· increased severities of extramedullary haemopoiesis, characterised as essentially erythropoiesis
· Renal effects.
· Decrease in hematocrit in females
Thus based on above discussion it can be concluded that toxicity of the target chemical (536 mg/kg/day) is predicted from category members using read-across based on 5 values within the range 60 – 1350 mg/kg/day in sub-acute duration for rat from 5 nearest neighbors compared by prediction descriptors.
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