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Endoxifen

CAT: 0607-B7481-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7481-50Size:50 mg
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Description
Estrogen receptor α (ERα) ligand
CAS Number
112093-28-4
Product Name Alternative
(Z)-4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol
Field of Research
Endocrinology and Hormones Estrogen progestogen Receptor
Purity
0.9868
Form
A solid
Solubility
≥37.3 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
OC1=CC=C(C=C1)/C(C(C=C2)=CC=C2OCCNC)=C(C3=CC=CC=C3)\CC
Molecular Formula
C25H27NO2
Molecular Weight
373.49
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Endoxifen

4-Hydroxy-N-desmethyltamoxifen is a stilbenoid.

CAS Number112093-28-4
PubChem CID10090750
IUPAC Name4-[(Z)-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-IZHYLOQSSA-N
Chemical Structure
2D Structure
2D structure of Endoxifen
CAS: 112093-28-4
CID: 10090750
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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