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Endoxifen E-isomer hydrochloride

CAT: 0013-GTR19161224-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161224-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Endoxifen, a tamoxifen metabolite, is effective specific Estrogen Response Modifier (SERM) .
CAS Number
1197194-61-8
Product Name Alternative
E-Endoxifen hydrochloride
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 30 mg/mL. 73.18 mM
Smiles
CC/C (=C (/c1ccc (cc1) O) \c1ccc (cc1) OCCNC) /c1ccccc1.Cl
Molecular Formula
C25H28ClNO2
Molecular Weight
409.95
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Endoxifen E-isomer hydrochloride
CAS Number1197194-61-8
PubChem CID91885447
IUPAC Name4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
Molecular FormulaC25H28ClNO2
Molecular Weight409.9
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity467
SMILES
CC/C(=C(/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3.Cl
InChI
InChI=1S/C25H27NO2.ClH/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;1H/b25-24+;
InChIKey
RPFIMPDXTABYCN-QREUMGABSA-N
Chemical Structure
2D Structure
2D structure of Endoxifen E-isomer hydrochloride
CAS: 1197194-61-8
CID: 91885447
Formula: C25H28ClNO2
MW: 409.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass409.1808568
Monoisotopic Mass409.1808568
Topological Polar Surface Area41.5 Ų
Heavy Atom Count29
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 Count2
Compound Is CanonicalizedYes

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