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Endoxifen

CAT: 0013-GTR19170364-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170364-02Size:10 mg
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Description
Endoxifen
CAS Number
110025-28-0
Product Name Alternative
Aromatase, (E/Z) -N-desmethyl-4-hydroxy Tamoxifen, (E/Z) -Endoxifen, Drug Metabolite, DrugMetabolite, Endoxifen, ER, ERR, Estrogen Receptor, Estrogen Receptor/ERR, EstrogenReceptor, Parasite, inhibit, Inhibitor, progestogenReceptor, progestogen Receptor
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
98.55% (May vary between batches)
Solubility
DMSO:27.5 mg/mL (73.63 mM)
Smiles
CC\C (=C (\c1ccc (O) cc1) c1ccc (OCCNC) cc1) c1ccccc1
Molecular Formula
C25H27NO2
Molecular Weight
373.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-hydroxy-N-desmethyltamoxifen

metabolite of tamoxifen in human bile

CAS Number110025-28-0
PubChem CID3035980
IUPAC Name4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Molecular FormulaC25H27NO2
Molecular Weight373.5
XLogP6.3
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity467
SMILES
CC/C(=C(/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3
InChI
InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24+
InChIKey
MHJBZVSGOZTKRH-OCOZRVBESA-N
Chemical Structure
2D Structure
2D structure of 4-hydroxy-N-desmethyltamoxifen
CAS: 110025-28-0
CID: 3035980
Formula: C25H27NO2
MW: 373.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.5
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass373.204179104
Monoisotopic Mass373.204179104
Topological Polar Surface Area41.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
9614-10Endoxifen
MBS3600698-01Endoxifen hydrochloride
MBS5814116Endoxifen mesylate
M17762-01Endoxifen HCl
CS-O-60779Endoxifen Sulfate

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