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Raloxifene

CAT: 1410-M24833-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M24833-06Size:100 mg
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Description
Raloxifene is a selective oestrogen receptor modulator. It has effects on bone and breast cancer and cardiovascular disease risk.
CAS Number
84449-90-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
473.58
Molecular Formula
C28H27NO4S
Notes
Research use only, not for human use.
Receptor
SERM

Chemical Information

Raloxifene

Raloxifene is a member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively. It has a role as a bone density conservation agent, an estrogen receptor modulator and an estrogen antagonist. It is a member of phenols, a member of 1-benzothiophenes, a N-oxyethylpiperidine and an aromatic ketone. It is a conjugate base of a raloxifene(1+).

CAS Number84449-90-1
PubChem CID5035
IUPAC Name[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
Molecular FormulaC28H27NO4S
Molecular Weight473.6
XLogP6.1
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity655
SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O
InChI
InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
InChIKey
GZUITABIAKMVPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Raloxifene
CAS: 84449-90-1
CID: 5035
Formula: C28H27NO4S
MW: 473.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.6
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass473.16607952
Monoisotopic Mass473.16607952
Topological Polar Surface Area98.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA9217-10Raloxifene
TRC-R100040-50MGRaloxifene Dimer
256428Raloxifene hydrochloride
HY-13738A-01Raloxifene (hydrochloride)
BML-GR243-0050Raloxifene . HCl
AR-R10243-01Raloxifene HCl

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