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(E) -4-Hydroxytamoxifen

CAT: 0013-GTR19243356-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243356-05Size:25 mg
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Description
(E) -4-Hydroxytamoxifen ((E) -Afimoxifene), the less active isomer of (Z) -4-hydroxytamoxifen, is an estrogen receptor modulator.
CAS Number
174592-47-3
Purity
>98% (HPLC)
Solubility
DMSO : 12.5 mg/mL (32.26 mM)
Smiles
OC1=CC=C (C=C1) /C (C2=CC=C (C=C2) OCCN (C) C) =C (CC) \C3=CC=CC=C3
Molecular Formula
C26H29NO2
Molecular Weight
387.51
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(E)-4-Hydroxytamoxifen

4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is a stilbenoid.

CAS Number174592-47-3
PubChem CID5352135
IUPAC Name4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Molecular FormulaC26H29NO2
Molecular Weight387.5
XLogP6.8
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity493
SMILES
CC/C(=C(/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
InChI
InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25+
InChIKey
TXUZVZSFRXZGTL-OCEACIFDSA-N
Chemical Structure
2D Structure
2D structure of (E)-4-Hydroxytamoxifen
CAS: 174592-47-3
CID: 5352135
Formula: C26H29NO2
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass387.219829168
Monoisotopic Mass387.219829168
Topological Polar Surface Area32.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity493
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

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