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Idoxifene

CAT: 0013-GTR19203863-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203863-06Size:50 mg
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Description
Idoxifene is a selective estrogen receptor modulator (SERM) with tissue-specific activity. It has been utilized in research models to study estrogen receptor pharmacology, including in vitro binding assays and in vivo studies related to breast cancer and bone metabolism.
CAS Number
116057-75-1
Field of Research
Metabolism Research
Purity
100.00% (May vary between batches)
Smiles
C (=C (/CC) \C1=CC=CC=C1) (\C2=CC=C (OCCN3CCCC3) C=C2) /C4=CC=C (I) C=C4
Molecular Formula
C28H30INO
Molecular Weight
523.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Idoxifene

Idoxifene is a stilbenoid.

CAS Number116057-75-1
PubChem CID3034011
IUPAC Name1-[2-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine
Molecular FormulaC28H30INO
Molecular Weight523.4
XLogP8.3
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity547
SMILES
CC/C(=C(/C1=CC=C(C=C1)OCCN2CCCC2)\C3=CC=C(C=C3)I)/C4=CC=CC=C4
InChI
InChI=1S/C28H30INO/c1-2-27(22-8-4-3-5-9-22)28(23-10-14-25(29)15-11-23)24-12-16-26(17-13-24)31-21-20-30-18-6-7-19-30/h3-5,8-17H,2,6-7,18-21H2,1H3/b28-27-
InChIKey
JJKOTMDDZAJTGQ-DQSJHHFOSA-N
Chemical Structure
2D Structure
2D structure of Idoxifene
CAS: 116057-75-1
CID: 3034011
Formula: C28H30INO
MW: 523.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.4
XLogP38.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass523.13721
Monoisotopic Mass523.13721
Topological Polar Surface Area12.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity547
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

Alternative Products

CatalogName
TRC-I654050-100MGIdoxifene
HY-U00178RIdoxifene (Standard)

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