Desmethylchlorotrianisene

Desmethylchlorotrianisene
Clinical data
Other names	DMCTA
Drug class	Nonsteroidal estrogen
Identifiers
	IUPAC name (EZ)-4-[2-Chloro-1,2-bis(4-hydroxyphenyl)ethenyl]phenol;
CAS Number	80525-45-7 (E)-isomer: 80525-45-7; (Z)-isomer: 80525-44-6;
PubChem CID	53325692;
ChemSpider	25047392;
Chemical and physical data
Formula	C20H15ClO3
Molar mass	338.79 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES OC1=CC=C(/C(C2=CC=C(OC)C=C2)=C(Cl)/C3=CC=C(OC)C=C3)C=C1;
	InChI 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;

Desmethylchlorotrianisene (DMCTA) is a nonsteroidal estrogen which is thought to be the major active metabolite of chlorotrianisene (CTA; TACE).^[1]^[2] It is a 1:1 mixture of cis and trans isomers.^[1]^[2] DMCTA is produced from CTA via mono-O-demethylation catalyzed by cytochrome P450 enzymes in the liver.^[1]^[2] CTA is thought to act as a long-lasting prodrug of DMCTA.^[1]

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References