Toremifene Citrate
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular Identity
Toremifene Citrate
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID: 3005572
Toremifene citrate is a stilbenoid. It has a role as an anticoronaviral agent.
2D Structure
Properties
C32H36ClNO8
Molecular Formula
598.10
Molecular Weight
g/mol
597.2129
Exact Mass
Da
145
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
710
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)OIsomeric SMILES
SMILES: CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)OSynonyms(20)
TOREMIFENE CITRATE89778-27-8DTXSID2021367FC 1157aFC-1157aNSC-613680NSC6136802498Y783QTDTXCID301367Ethanamine, 2-(4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)Citrate, ToremifeneRefChem:57434Toremifene Citrate (1:1)FC1157a2-(p-((Z)-4-chloro-1,2-diphenyl-1-butenyl)-phenoxy)-N,N-dimethylethylamine citrate (1:1)
Data from PubChem (NCBI)
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