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Chemical structure of Endoxifen E-isomer

GC35988

Endoxifen E-isomer

Also known as 4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

Endoxifen E-isomer (E-Endoxifen), an E-isomer of Endoxifen, is an impurity in Endoxifen Z-isomer drug substance· Endoxifen E-isomer exhibits antiestrogenic effects

ChemicalCAS114828-90-9MW373.49FormulaC25H27NO2
CAS number
114828-90-9
Molecular weight
373.49
Formula
C25H27NO2
Solubility
DMSO： ≥ 32 mg/mL (85·68 mM)
InChIKey
MHJBZVSGOZTKRH-OCOZRVBESA-N
Catalogue number
GC35988
Brand
GLPBIO
Computed properties PubChem CID 3035980 · XLogP 6.3 · TPSA 41.5 Ų · H-bond donors 2
XLogP
6.3
TPSA
41.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
28

SMILES CC/C(=C(/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3

Computed descriptors from PubChem (CID 3035980), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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