2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1H-benz[de]isoquinoline-1,3(2H)-dione

Short-term toxicity to fish

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to fish

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Data is from computational model developed by USEPA

Qualifier:

according to guideline

Guideline:

other: Modelling database

Principles of method if other than guideline:

Prediction done using ECOSAR v.1.11 model

GLP compliance:

no

Specific details on test material used for the study:

- Name of test material: 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione
- Molecular formula: C18H20N2O4
- Molecular weight: 328.366 g/mol
- Smiles notation: c1ccc2C(=O)N(CCCO)C(=O)c3ccc(NCCCO)c1c23
- InChl: 1S/C18H20N2O4/c21-10-2-8-19-15-7-6-14-16-12(15)4-1-5-13(16)17(23)20(18(14)24)9-3-11-22/h1,4-7,19,21-22H,2-3,8-11H2
- Substance type: Organic
- Physical state -solid

Analytical monitoring:

not specified

Vehicle:

not specified

Test organisms (species):

other: Fish

Test type:

not specified

Water media type:

freshwater

Total exposure duration:

96 h

Test temperature:

25 Deg.C

Reference substance (positive control):

not specified

Key result

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

1 207.307 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Remarks on result:

other: ECOSAR Class:Neutral Organics

Validity criteria fulfilled:

not specified

Conclusions:

Based on the EPI Suite ECOSAR version 1.10 prediction model, the 96 hours LC50 was estimated to be 1207.307 mg/l on Fish for substance 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS no.52821-24-6) on the basis of mortality effects.

Executive summary:

Using the EPI Suite ECOSAR version 1.11, the short term toxicity on fish was predicted for test substance 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS no.52821-24-6) on the basis of effects observed in a static freshwater system. The lethal concentration LC50 value for the substance was estimated to be 1207.307 mg/l for fish for 96 hr exposure duration. Based on this lethal value it can be concluded that the substance 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS no.52821-24-6)can be considered to be non toxic to aquatic environment and thus it become not classified as per the CLP classification criteria.

Description of key information

Based on the EPI Suite ECOSAR version 1.10 prediction model, the 96 hours LC50 was estimated to be 1207.307 mg/l on Fish for substance 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS no.52821-24-6) on the basis of mortality effects.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Effect concentration:

1 207.307 mg/L

Additional information

Using the EPI Suite ECOSAR version 1.11, the short term toxicity on fish was predicted for test substance 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS no.52821-24-6) on the basis of effects observed in a static freshwater system. The lethal concentration LC50 value for the substance was estimated to be 1207.307 mg/l for fish for 96 hr exposure duration. Based on this lethal value it can be concluded that the substance 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS no.52821-24-6)can be considered to be non toxic to aquatic environment and thus it become not classified as per the CLP classification criteria.