HPTE

Synonyms: "2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane", "hydroxychlor", "HPTE", "p,p'-hydroxy-DDT", "p,p'-HO-DDT", "1,1,1-trichloro-2,2-bis(4-hydroxyphenyl)ethane"

Source: HPTE is a metabolite of the organochlorine pesticide methoxychlor.

Identifiers:

IUPAC Name: 4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]phenol
CAS Number: 2971-36-0
PubChem ID: 76302
InChiKey: IUGDILGOLSSKNE-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C(Cl)(Cl)Cl)O

Structural Properties:

Molecular Formula: C14H11Cl3O2
Molecular Weight: 317,595

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CTD (Comparative Toxicogenomics Database)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.
Gaido KW, Maness SC, McDonnell DP, Dehal SS, Kupfer D, Safe S. 2000. Interaction of methoxychlor and related compounds with estrogen receptor [alpha] and [beta], and androgen receptor: structure-activity studies. Mol Pharmacol 58(4):852-858.
Maness SC, McDonnell DP, Gaido KW. 1998. Inhibition of androgen receptor-dependent transcriptional activity by DDT isomers and methoxychlor in HEPG2 human hepatoma cells. Toxicol Appl Pharmacol 151(1):135-142.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer