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Endoxifen hydrochloride

CAT: 0127-BUP13320-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13320-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1197194-41-4
Purity
=98%
Smiles
Cl.CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1

Chemical Information

Endoxifen Hydrochloride

Endoxifen Hydrochloride is the hydrochloride salt and the z (cis-) stereoisomer of endoxifen with potential antineoplastic activity. Endoxifen, the active metabolite of tamoxifen, competitively inhibits the binding of estradiol to estrogen receptors, thereby preventing the receptor from binding to the estrogen-response element on DNA and thus reducing DNA synthesis. Unlike tamoxifen, however, which relies on CYP2D6 activity for its conversion to the active metabolite endoxifen, the direct administration of endoxifen bypasses the CYP2D6 route. As CYP2D6 activity can vary widely among individuals due to genetic CYP2D6 polymorphisms, endoxifen is therefore theoretically more potent and more uniform in its bioavailability across patient populations.

CAS Number1197194-41-4
PubChem CID54613017
IUPAC Name4-[(Z)-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-BJFQDICYSA-N
Chemical Structure
2D Structure
2D structure of Endoxifen Hydrochloride
CAS: 1197194-41-4
CID: 54613017
Formula: C25H28ClNO2
MW: 409.9
Interactive 3D Structure
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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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