Desmethylchlorotrianisene

Desmethylchlorotrianisene (DMCTA) is a nonsteroidal estrogen which is thought to be the major active metabolite of chlorotrianisene (CTA; TACE). It is a 1:1 mixture of cis and trans isomers. DMCTA is produced from CTA via mono-O-demethylation catalyzed by cytochrome P450 enzymes in the liver. CTA is thought to act as a long-lasting prodrug of DMCTA.

Desmethylchlorotrianisene
Clinical data
Other namesDMCTA
Drug classNonsteroidal estrogen
Identifiers
  • (EZ)-4-[2-Chloro-1,2-bis(4-hydroxyphenyl)ethenyl]phenol
PubChem CID
ChemSpider
ChEMBL
Chemical and physical data
FormulaC20H15ClO3
Molar mass338.79 g·mol−1
3D model (JSmol)
SMILES
  • OC1=CC=C(/C(C2=CC=C(OC)C=C2)=C(Cl)/C3=CC=C(OC)C=C3)C=C1
  • InChI=1S/C20H15ClO3/c21-20(15-5-11-18(24)12-6-15)19(13-1-7-16(22)8-2-13)14-3-9-17(23)10-4-14/h1-12,22-24H
  • Key:XQRLRQNJWROVPF-UHFFFAOYSA-N
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