6WT

1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene


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Chemical Component Summary

Name1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene
Identifiers1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene
FormulaC14 H9 Cl5
Molecular Weight354.486
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl
InChIInChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
InChIKeyYVGGHNCTFXOJCH-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count29
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB13424 
NameClofenotane
Groups experimental
Synonyms
  • Dichlorodiphenyltrichloroethane
  • DDT
  • Clofenotane
Categories
  • Antiparasitic Products, Insecticides and Repellents
  • Chlorine Containing Products
  • Ectoparasiticides, Incl. Scabicides
  • Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents
  • Hydrocarbons, Chlorinated
ATC-Code
  • P03AB51
  • P03AB01
CAS number50-29-3

Related Resource References

Resource NameReference
PubChem 3036
ChEMBL CHEMBL416898
ChEBI CHEBI:16130
CCDC/CSD CPTCET12, VEJRIO, CPTCET11, CPTCET10