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SR 9238

CAT: 0572-TRC-S684520-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S684520-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1416153-62-2
Synonyms
Ethyl-5-[[[4-(3-methylsulfonylphenyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]furan-2-carboxylate; SR 9238
Hazard Statement
No Data Available
Smiles
CCOC(=O)c1oc(CN(Cc2ccc(cc2)c3cccc(c3)S(=O)(=O)C)S(=O)(=O)c4c(C)cc(C)cc4C)cc1
Molecular Formula
C31 H33 N O7 S2
Molecular Weight
595.726
InChI
InChI=1S/C31H33NO7S2/c1-6-38-31(33)29-15-14-27(39-29)20-32(41(36,37)30-22(3)16-21(2)17-23(30)4)19-24-10-12-25(13-11-24)26-8-7-9-28(18-26)40(5,34)35/h7-18H,6,19-20H2,1-5H3
Additionnal Information
IUPAC name: ethyl 5-[[[4-(3-methylsulfonylphenyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]furan-2-carboxylate
Shipping Conditions
Room Temperature

Chemical Information

SR9238

liver-selective LXR inverse agonist that suppresses hepatic steatosis; structure in first source

CAS Number1416153-62-2
PubChem CID71478195
IUPAC Nameethyl 5-[[[4-(3-methylsulfonylphenyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]furan-2-carboxylate
Molecular FormulaC31H33NO7S2
Molecular Weight595.7
XLogP5.7
Topological Polar Surface Area128
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity1060
SMILES
CCOC(=O)C1=CC=C(O1)CN(CC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C)S(=O)(=O)C4=C(C=C(C=C4C)C)C
InChI
InChI=1S/C31H33NO7S2/c1-6-38-31(33)29-15-14-27(39-29)20-32(41(36,37)30-22(3)16-21(2)17-23(30)4)19-24-10-12-25(13-11-24)26-8-7-9-28(18-26)40(5,34)35/h7-18H,6,19-20H2,1-5H3
InChIKey
HDZWHJYZJWLTAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR9238
CAS: 1416153-62-2
CID: 71478195
Formula: C31H33NO7S2
MW: 595.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight595.7
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass595.16984474
Monoisotopic Mass595.16984474
Topological Polar Surface Area128 Ų
Heavy Atom Count41
Formal Charge0
Complexity1060
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

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