Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Remarks:

experimental data of read across substances

Justification for type of information:

Data for the target chemical is summarized based on the structurally similar read across chemicals

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across source

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

WoE report is based on two hydrolysis studies as-
1. and 2.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material: Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt
- Molecular formula: C52H38Cl2N16O24S6.6Na
- Molecular weight: 1666.15 g/mol
- Smiles notation: c1cc2c(c(S([O-])(=O)=O)c1NCCNc1nc(nc(n1)[n+]1cccc(c1)C([O-])=O)Nc1cc(S([O-])(=O)=O)ccc1S([O-])(=O)=O)Oc1c(c3=Nc4c(Oc3c(c1=N2)Cl)c(S([O-])(=O)=O)c(NCCNc1nc(Nc2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)nc(n1)[n+]1cccc(c1)C([O-])=O)cc4)Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
- InChl: 1S/C52H38Cl2N16O24S6.6Na/c53-35-38-42(94-40-28(60-38)8-10-30(44(40)100(90,91)92)56-14-16-58-48-64-50(68-52(66-48)70-18-2-4-24(22-70)46(73)74)62-32-20-26(96(78,79)80)6-12-34(32)98(84,85)86)36(54)37-41(35)93-39-27(59-37)7-9-29(43(39)99(87,88)89)55-13-15-57-47-63-49(67-51(65-47)69-17-1-3-23(21-69)45(71)72)61-31-19-25(95(75,76)77)5-11-33(31)97(81,82)83;;;;;;/h1-12,17-22H,13-16H2,(H12-2,55,56,57,58,59,60,61,62,63,64,65,66,67,68,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92);;;;;;/q;6*+1/p-6
- Substance type: Organic
- Physical state: Solid

Radiolabelling:

not specified

Vehicle:

yes

Remarks:

1. not specified and 2. Dimethyl sulfoxide was used as a vehicle.

Details on preparation of test solutions, spiked fish food or sediment:

1. No data available
2. PREPARATION AND APPLICATION OF TEST SOLUTION (especially for difficult test substances) - Name and concentration of vehicle : Dimethyl sulfoxide, 1st Concentration area : 6000 ppb(w/v), 2nd Concentration area : 600 ppb(w/v)

Test organisms (species):

Cyprinus carpio

Route of exposure:

aqueous

Test type:

static

Water / sediment media type:

natural water: freshwater

Total exposure / uptake duration:

6 wk

Details on test conditions:

1. RANGE-FINDING / PRELIMINARY STUDY
- Test concentrations: TLm (48 hr) ≥ 1000 ppm (w/v), Rice fish (Oryzias latipes)

2. RANGE-FINDING / PRELIMINARY STUDY
- Test concentrations: TLm (48 hr) ≥ 50 ppm (w/v), Rice fish (Oryzias latipes)

Nominal and measured concentrations:

1.
Nominal concentrations:
1st concentration area: 2.0 mg/l (ppm) (w/v)
2nd concentration area: 0.2 mg/l (ppm) (w/v)

2.
Nominal concentrations:
1st concentration area: 0.2 mg/l (200 ppb) (w/v)
2nd concentration area: 0.02 mg/l (20 ppb) (w/v)

Reference substance (positive control):

not specified

Lipid content:

5 %

Remarks on result:

other: 1. Other details not known

Remarks on result:

other: 2. No data available

Conc. / dose:

2 mg/L

Type:

BCF

Value:

> 0.6 - < 1.8 L/kg

Basis:

total lipid content

Time of plateau:

6 wk

Remarks on result:

other: 1. Other details not known

Conc. / dose:

0.2 mg/L

Type:

BCF

Value:

<= 5.5 L/kg

Basis:

total lipid content

Time of plateau:

6 wk

Remarks on result:

other: 1. Other details not known

Conc. / dose:

0.2 mg/L

Type:

BCF

Value:

> 1.4 - < 4.7 L/kg

Basis:

whole body w.w.

Time of plateau:

6 wk

Remarks on result:

other: 2. Other details not known

Conc. / dose:

0.02 mg/L

Type:

BCF

Value:

> 6.4 - < 28 L/kg

Basis:

whole body w.w.

Time of plateau:

6 wk

Remarks on result:

other: 2. Other details not known

1.

Bioaccumulation test results:

 

		2 W	3 W	4 W	6 W
1st Concentration area	Test substance concentration (ppm (w/v)	1.87	1.89	1.94	1.92
	Bioconcentration factor (L/kg)	1.3	1.8	≤ 0.6	≤ 0.6
		1.7	0.7	≤ 0.6	0.6
2nd Concentration area	Test substance concentration (ppm (w/v)	0.207	0.204	0.204	0.198
	Bioconcentration factor (L/kg)	≤ 5.5	≤ 5.5	≤ 5.5	≤ 5.5
		≤ 5.5	≤ 5.5	≤ 5.5	≤ 5.5

2.

Bioaccumulation test results:

 

		2 W	3 W	4 W	6 W
1st Concentration area	Test substance concentration (ppb (w/v)	151	153	149	151
	Bioconcentration factor (L/kg)	3.5	1.4	2.6	4.7
		1.7	1.8	4.5	3.7
2nd Concentration area	Test substance concentration (ppb (w/v)	14.5	15.0	14.5	14.5
	Bioconcentration factor (L/kg)	≤ 6.4	9.9	7.3	28
		9.7	7.4	13	17

Validity criteria fulfilled:

not specified

Conclusions:

On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the bioaccumulation factor (BCF value) of the test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt can be expected to be range from 0.6 – 1.8 L/Kg at a conc. of 2.0 mg/l and ≤ 5.5 L/Kg at a conc. of 0.2 mg/l on the basis of total lipid content, respectively or 1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l on the basis of whole body wieght of test organism, respectively. Thus, based on this, test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxa zinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2- diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt is considered to be non-bioaccumulative in aquatic organisms.

Executive summary:

Data available for the structurally and functionally similar read across chemicals has been reviewed to determine the bioaccumulation potential in aquatic organisms of the test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11- disulfo-3,10 -triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt (CAS no. 79771 -28 -1). The studies are as mentioned below:

Bioaccumulation study was conducted on test organism Cyprinus carpiofor 6 weeks for evaluating the bioconcentration factor (BCF value) of test substance.The study was performed according to other guideline"Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively.Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water: 1st concentration area : 97.6%, 2nd concentration area : 94.8%, Fish: 71.9%, - Limit of quantitation: Test water: 1st concentration area : 0.14 ppm, 2nd concentration area : 0.015 ppm, Fish : 1.1 ppm. Test chemical nominal conc. used for the study were 2.0 mg/land 0.2 mg/l, respectively. Range finding study involve the TLm (48 hr) ≥ 1000 ppm (w/v) on Rice fish (Oryzias latipes). Lipid content of the test organism was determined to be 5.0%.The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 0.6 – 1.8 L/Kg at a conc. of 2.0 mg/l and ≤ 5.5 L/Kg at a conc. of 0.2 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.

In an another study, the bioaccumulation experiment was conducted on test organism Cyprinus carpiofor 6 weeks for evaluating the bioconcentration factor (BCF value) of test substance. The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances”. Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water: 1st concentration area : 94.6%, 2nd concentration area : 91.3%, Fish: 85.9%, - Limit of quantitation: Fish : 0.093 ppm. Test chemical nominal conc. used for the study were 0.2 mg/land 0.02 mg/l, respectively. Dimethyl sulfoxide was used as a vehicle in the study. Range finding study involve the TLm (48 hr) ≥ 50 ppm (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that test chemical is not expected to bioaccumulate in the food chain.

On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the bioaccumulation factor (BCF value) of the test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt can be expected to be range from 0.6 – 1.8 L/Kg at a conc. of 2.0 mg/l and ≤ 5.5 L/Kg at a conc. of 0.2 mg/l on the basis of total lipid content, respectively or  1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l on the basis of whole body wieght of test organism, respectively. Thus, based on this, test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxa zinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2- diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt is considered to be non-bioaccumulative in aquatic organisms.

Description of key information

On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the bioaccumulation factor (BCF value) of the test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt can be expected to be range from 0.6 – 1.8 L/Kg at a conc. of 2.0 mg/l and ≤ 5.5 L/Kg at a conc. of 0.2 mg/l on the basis of total lipid content, respectively or 1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l on the basis of whole body wieght of test organism, respectively. Thus, based on this, test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxa zinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2- diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt is considered to be non-bioaccumulative in aquatic organisms.

Additional information

Data available for the structurally and functionally similar read across chemicals has been reviewed to determine the bioaccumulation potential in aquatic organisms of the test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11- disulfo-3,10 -triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt (CAS no. 79771 -28 -1). The studies are as mentioned below:

 

Bioaccumulation study was conducted on test organism Cyprinus carpiofor 6 weeks for evaluating the bioconcentration factor (BCF value) of test substance.The study was performed according to other guideline"Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively.Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water: 1st concentration area : 97.6%, 2nd concentration area : 94.8%, Fish: 71.9%, - Limit of quantitation: Test water: 1st concentration area : 0.14 ppm, 2nd concentration area : 0.015 ppm, Fish : 1.1 ppm. Test chemical nominal conc. used for the study were 2.0 mg/land 0.2 mg/l, respectively. Range finding study involve the TLm (48 hr) ≥ 1000 ppm (w/v) on Rice fish (Oryzias latipes). Lipid content of the test organism was determined to be 5.0%.The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 0.6 – 1.8 L/Kg at a conc. of 2.0 mg/l and ≤ 5.5 L/Kg at a conc. of 0.2 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.

 

In an another study, the bioaccumulation experiment was conducted on test organism Cyprinus carpiofor 6 weeks for evaluating the bioconcentration factor (BCF value) of test substance. The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances”. Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water: 1st concentration area : 94.6%, 2nd concentration area : 91.3%, Fish: 85.9%, - Limit of quantitation: Fish : 0.093 ppm. Test chemical nominal conc. used for the study were 0.2 mg/land 0.02 mg/l, respectively. Dimethyl sulfoxide was used as a vehicle in the study. Range finding study involve the TLm (48 hr) ≥ 50 ppm (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that test chemical is not expected to bioaccumulate in the food chain.

 

On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the bioaccumulation factor (BCF value) of the test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt can be expected to be range from 0.6 – 1.8 L/Kg at a conc. of 2.0 mg/l and ≤ 5.5 L/Kg at a conc. of 0.2 mg/l on the basis of total lipid content, respectively or  1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l on the basis of whole body wieght of test organism, respectively. Thus, based on this, test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxa zinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2- diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt is considered to be non-bioaccumulative in aquatic organisms.