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Droloxifene

CAT: 1410-M16060-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M16060-01Size:5 mg
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Description
A nonsteroidal selective estrogen receptor modulator (SERM) that shows 10- to 60-fold increased affinity for the estrogen receptor compared with Tamoxifen.
CAS Number
82413-20-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
387.52
Molecular Formula
C26H29NO2
Notes
Research use only, not for human use.
Receptor
Estrogen Receptor/ERR

Chemical Information

Droloxifene

Droloxifene is a stilbenoid.

CAS Number82413-20-5
PubChem CID3033767
IUPAC Name3-[(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
Complexity501
SMILES
CC/C(=C(/C1=CC=C(C=C1)OCCN(C)C)\C2=CC(=CC=C2)O)/C3=CC=CC=C3
InChI
InChI=1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3/b26-25+
InChIKey
ZQZFYGIXNQKOAV-OCEACIFDSA-N
Chemical Structure
2D Structure
2D structure of Droloxifene
CAS: 82413-20-5
CID: 3033767
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
Complexity501
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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