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Suloxifen

CAT: 0804-HY-163648Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-163648Size:1 Each
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Description
Suloxifen is a thioketone compound, which exhibits anti-asthmatic efficacy[1].
CAS Number
25827-12-7
UNSPSC
12352005
Target
Estrogen Receptor/ERR
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/suloxifen.html
Smiles
O=S(C1=CC=CC=C1)(C2=CC=CC=C2)=NCCN(CC)CC
Molecular Formula
C18H24N2OS
Molecular Weight
316.46
References & Citations
[1]Lücking U. New Opportunities for the Utilization of the Sulfoximine Group in Medicinal Chemistry from the Drug Designer's Perspective. Chemistry. 2022 Oct 7;28 (56) :e202201993.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Suloxifen

Suloxifen is a small molecule drug. Suloxifen has a monoisotopic molecular weight of 316.16 Da.

CAS Number25827-12-7
PubChem CID3084444
IUPAC NameN,N-diethyl-2-[[oxo(diphenyl)-lambda6-sulfanylidene]amino]ethanamine
Molecular FormulaC18H24N2OS
Molecular Weight316.5
XLogP4.2
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity389
SMILES
CCN(CC)CCN=S(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H24N2OS/c1-3-20(4-2)16-15-19-22(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKey
HSOWGTFAGFRXKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Suloxifen
CAS: 25827-12-7
CID: 3084444
Formula: C18H24N2OS
MW: 316.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass316.16093457
Monoisotopic Mass316.16093457
Topological Polar Surface Area41.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity389
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
T88078-01Suloxifen

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