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α-Hydroxytamoxifen

CAT: 0013-GTR19224795-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224795-04Size:10 mg
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Description
α-Hydroxytamoxifen is a bioactive metabolite of tamoxifen known to form covalent DNA adducts. This property makes it a critical tool for investigating tamoxifen's genotoxic mechanisms in both in vitro and in vivo models of breast cancer research.
CAS Number
97151-02-5
Field of Research
Metabolism Research
Smiles
C (=C (/C (C) O) \C1=CC=CC=C1) (\C2=CC=C (OCCN (C) C) C=C2) /C3=CC=CC=C3
Molecular Formula
C26H29NO2
Molecular Weight
387.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

alpha-Hydroxytamoxifen

Alpha-Hydroxytamoxifen is a stilbenoid.

CAS Number97151-02-5
PubChem CID3036580
IUPAC Name(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol
Molecular FormulaC26H29NO2
Molecular Weight387.5
XLogP5.9
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity495
SMILES
CC(/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3)O
InChI
InChI=1S/C26H29NO2/c1-20(28)25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)3/h4-17,20,28H,18-19H2,1-3H3/b26-25-
InChIKey
BPHFBQJMFWCHGH-QPLCGJKRSA-N
Chemical Structure
2D Structure
2D structure of alpha-Hydroxytamoxifen
CAS: 97151-02-5
CID: 3036580
Formula: C26H29NO2
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP35.9
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
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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