Toremifene
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
Molecular Identity
Toremifene
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
PubChem CID: 3005573
Toremifene is a tertiary amine, an aromatic ether and an organochlorine compound. It has a role as an antineoplastic agent, a bone density conservation agent, an estrogen receptor modulator and an estrogen antagonist. It derives from a hydride of a stilbene.
2D Structure
Properties
C26H28ClNO
Molecular Formula
406.00
Molecular Weight
g/mol
405.1859
Exact Mass
Da
7.2
XLogP
Above Lipinski threshold
12.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
483
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3Isomeric SMILES
SMILES: CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3Synonyms(20)
toremifene89778-26-7AcapodeneFarestoneToremifenoToremifenumChlortamoxifenToremipheneGTx-0067NFE54O27TJ33.157K(Z)-2-(4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamineCHEBI:9635DTXSID3023689(2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Toremifene
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