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Raloxifene hydrochloride

CAT: 0931-T1549-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T1549-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
82640-04-8
Target
MAO, Estrogen/progestogen Receptor, Estrogen Receptor/ERR, Autophagy
Related Pathways
Autophagy, Neuroscience, Endocrinology/Hormones, Metabolism
Purity
>99.99%
Bioactivity
Raloxifene hydrochloride (LY156758 hydrochloride) is a second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue.
Smiles
Cl.Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Molecular Formula
C28H28ClNO4S
Molecular Weight
510.044
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Raloxifene Hydrochloride

Raloxifene hydrochloride is a hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride. It has a role as a bone density conservation agent, an estrogen receptor modulator and an estrogen antagonist. It contains a raloxifene(1+).

CAS Number82640-04-8
PubChem CID54900
IUPAC Name[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
Molecular FormulaC28H28ClNO4S
Molecular Weight510.0
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count35
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.Cl
InChI
InChI=1S/C28H27NO4S.ClH/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;1H
InChIKey
BKXVVCILCIUCLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Raloxifene Hydrochloride
CAS: 82640-04-8
CID: 54900
Formula: C28H28ClNO4S
MW: 510.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight510.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass509.1427572
Monoisotopic Mass509.1427572
Topological Polar Surface Area98.2 Ų
Heavy Atom Count35
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 Count2
Compound Is CanonicalizedYes