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Chemical structure of Endoxifen E-isomer hydrochloride

GC35989

Endoxifen E-isomer hydrochloride

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

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

ChemicalCAS1197194-61-8MW409.95FormulaC25H28ClNO2
CAS number
1197194-61-8
Molecular weight
409.95
Formula
C25H28ClNO2
Solubility
DMSO： ≥ 30 mg/mL (73·18 mM)
InChIKey
RPFIMPDXTABYCN-QREUMGABSA-N
Catalogue number
GC35989
Brand
GLPBIO
Computed properties PubChem CID 91885447 · TPSA 41.5 Ų · H-bond donors 3 · H-bond acceptors 3
TPSA
41.5 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
29

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

Computed descriptors from PubChem (CID 91885447), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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