Chemical identification
Unique IdentifierRID00216
CAS identifier69712-56-7
PubChem identifier53025
DSSTox identifierDTXSID1022762
Molecular weight 575.632 g/mol
SMILES CO[C@@]1(NC(=O)C2S/C(=C(C(=O)O)/C(=O)N)/S2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C
InChI InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1
InChIKey InChIkey=SRZNHPXWXCNNDU-IXOPCIAXSA-N

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

Chemical classification
Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Lactams
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.