Drug Information

General Information
Drug ID
DR01170
Drug Name
Toremifene
Synonyms
(Z)-2-(4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine; 2-(p-[(Z)-4-chloro-1,2-diphenyl-1-butenyl]-phenoxy)-N,N-dimethyl-ethylamine citrate(1:1); 2-(para-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine (IUPAC); 2-({4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenyl}oxy)-N,N-dimethylethanamine; 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine; 2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine; Acapodene; Acapodene (TN); Estrimex; FC-1157a; Fareston (TN); Farestone; GTX-006 (Acapodene); GTx 006; GTx-006; Toremifene (INN); Toremifene Base; Toremifene Citrate (1:1); Toremifene [INN:BAN]; Toremifeno; Toremifeno [Spanish]; Toremifenum; Toremifenum [Latin]; Z-Toremifene; {2-[4-(4-Chloro-1,2-diphenyl-but-1-enyl)-phenoxy]-ethyl}-dimethyl-amine
Drug Type
Small molecular drug
Indication Breast cancer [ICD11:2C60-2C6Z] Approved [1]
Therapeutic Class
Anticancer Agents
Structure
3D MOL 2D MOL
Formula
C26H28ClNO
Canonical SMILES
CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-
InChIKey
XFCLJVABOIYOMF-QPLCGJKRSA-N
CAS Number
CAS 89778-26-7
Pharmaceutical Properties Molecular Weight 406 Topological Polar Surface Area 12.5
Heavy Atom Count 29 Rotatable Bond Count 9
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
XLogP
7.2
PubChem CID
3005573
PubChem SID
10038137 ,103628891 ,10366 ,111617870 ,11528602 ,117870220 ,12013627 ,124892293 ,126621304 ,126648750 ,126669839 ,127316634 ,127316635 ,127316636 ,127316637 ,127316638 ,127316639 ,127316640 ,127316641 ,127316642 ,127316643 ,127316644 ,127316645 ,127316646 ,127316647 ,127316648 ,127316649 ,127316650 ,127316651 ,127316652 ,127316653 ,127316654 ,127316655 ,14757386 ,29216214 ,36055011 ,46506087 ,48416648 ,53787422 ,56352877 ,57410179 ,76883860 ,7980819 ,92309038 ,92718822 ,93165674 ,93166369 ,93167220 ,93626357 ,96025304
ChEBI ID
ChEBI:9635
TTD Drug ID
D04VFJ
DT(s) Transporting This Drug P-GP Transporter Info P-glycoprotein 1 Substrate [2]
References
1 Toremifene was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Antiestrogens and steroid hormones: substrates of the human P-glycoprotein. Biochem Pharmacol. 1994 Jul 19;48(2):287-92.

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