Chemical identification
Unique IdentifierRID00111
CAS identifier52315-07-8
PubChem identifier2912
DSSTox identifierDTXSID1023998
Molecular weight 416.304 g/mol
SMILES N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl
InChI InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3
InChIKey InChIkey=KAATUXNTWXVJKI-UHFFFAOYSA-N

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

Chemical classification
Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Fatty Acyls


Regulatory Information
Reference Country of Study Regulatory Status Regulating Country Usage Status
PMID: 36030007 Bulgaria|Hungary No known regulations Actively Used
PMID: 26401637 UK Registered UK Actively Used
PMID: 34628582 Canada Registered Canada Tested
List NameCategoryClass
Production of major chemicals year-wise in India Miscellaneous external exposomes Substances in use
EU Water Framework Priority Substances External environmental exposome Substances of concern
NZ EPA priority chemical list Miscellaneous external exposomes Substances of concern
DISCLAIMER

ReCAnt is a database of chemicals used in aquaculture and their ecotoxic effects, compiled from published literature. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on chemicals used in aquaculture is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.