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Add 4743

CAT: 0931-T29648-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29648-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
87858-57-9
Target
Others, Prostaglandin Receptor
Related Pathways
Others, Immunology/Inflammation, GPCR/G Protein
Bioactivity
Add 4743 is an analog of sitoglitazone, which is also a fat-forming agent.
Smiles
C(C1SC(=O)NC1=O)C2=CC=C(OCC3(C)CC(O)CCC3)C=C2
Molecular Formula
C18H23NO4S
Molecular Weight
349.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Add 4743

analog of ciglitazone; adipogenic agent; structure given in first source

CAS Number87858-57-9
PubChem CID137360
IUPAC Name5-[[4-[(3-hydroxy-1-methylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC18H23NO4S
Molecular Weight349.4
XLogP3.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity478
SMILES
CC1(CCCC(C1)O)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
InChI
InChI=1S/C18H23NO4S/c1-18(8-2-3-13(20)10-18)11-23-14-6-4-12(5-7-14)9-15-16(21)19-17(22)24-15/h4-7,13,15,20H,2-3,8-11H2,1H3,(H,19,21,22)
InChIKey
AVOKTXBQCWLDRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Add 4743
CAS: 87858-57-9
CID: 137360
Formula: C18H23NO4S
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass349.13477939
Monoisotopic Mass349.13477939
Topological Polar Surface Area101 Ų
Heavy Atom Count24
Formal Charge0
Complexity478
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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