Arzoxifene hydrochloride

CAT: 0926-HHA13327-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-HHA13327-01Size:10 mg

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CAS Number

182133-27-3

MDL Number

MFCD09837789

Smiles

COC1=CC=C (C=C1) C2=C (C3=C (S2) C=C (C=C3) O) OC4=CC=C (C=C4) OCCN5CCCCC5.Cl

Molecular Formula

C28H30ClNO4S

Molecular Weight

512.1 g/mol

Controlled

Chemical Information

Arzoxifene Hydrochloride

Arzoxifene Hydrochloride is the hydrochloride salt of arzoxifene, a synthetic aromatic derivative with anti-estrogenic properties. Arzoxifene binds to estrogen receptors as a mixed estrogen agonist/antagonist. In comparison to other selective estrogen receptor modulators (SERMs), arzoxifene exhibits greater bioavailability and higher anti-estrogenic potency in the breast than raloxifene; it exhibits reduced estrogenicity in the uterus compared with either tamoxifen or raloxifene. This agent may have beneficial effects on bone and the cardiovascular system.

CAS Number	182133-27-3
PubChem CID	179338
IUPAC Name	2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol;hydrochloride
Molecular Formula	C28H30ClNO4S
Molecular Weight	512.1
Topological Polar Surface Area	79.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	35
Formal Charge	0
Complexity	601

SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCCC5.Cl

InChI

InChI=1S/C28H29NO4S.ClH/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29;/h5-14,19,30H,2-4,15-18H2,1H3;1H

InChIKey

NHSNLUIMAQQXGR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 182133-27-3

CID: 179338

Formula: C28H30ClNO4S

MW: 512.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	512.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	511.1584073
Monoisotopic Mass	511.1584073
Topological Polar Surface Area	79.4 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	601
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Arzoxifene hydrochloride

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