Chemical Component Summary

Name3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL
Identifiers2,6-dichloro-4-(3,5-dichloro-4-hydroxy-phenyl)phenol
FormulaC12 H6 Cl4 O2
Molecular Weight323.987
TypeNON-POLYMER
Isomeric SMILESc1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl
InChIInChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
InChIKeyYCYDXOVJXVALHY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count25
Aromatic Bond Count13

Drug Info: DrugBank

DrugBank IDDB03346 
Name3,3',5,5'-tetrachlorobiphenyl-4,4'-diol
Groups experimental
Synonyms
  • 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol
  • 3,3',5,5'-Tetrachloro-4,4'-biphenyldiol
CAS number13049-13-3

Drug Targets

NameTarget SequencePharmacological ActionActions
Estrogen sulfotransferaseMNSELDYYEKFEEVHGILMYKDFVKYWDNVEAFQARPDDLVIATYPKSGT...unknown
TransthyretinMASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 97032
ChEMBL CHEMBL83116
ChEBI CHEBI:35434
CCDC/CSD GAKVAP