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5-Hydroxy Rosiglitazone

CAT: 0572-TRC-H953440-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H953440-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
257883-22-0
Hazard Statement
Causes serious eye irritation.
Smiles
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccc(O)cn3
Molecular Formula
C18 H19 N3 O4 S
Molecular Weight
373.43
InChI
InChI=1S/C18H19N3O4S/c1-21(16-7-4-13(22)11-19-16)8-9-25-14-5-2-12(3-6-14)10-15-17(23)20-18(24)26-15/h2-7,11,15,22H,8-10H2,1H3,(H,20,23,24)
Additionnal Information
IUPAC name: 5-[[4-[2-[(5-hydroxypyridin-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

p-Hydroxy rosiglitazone
CAS Number257883-22-0
PubChem CID9864316
IUPAC Name5-[[4-[2-[(5-hydroxy-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC18H19N3O4S
Molecular Weight373.4
XLogP2.8
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity499
SMILES
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=NC=C(C=C3)O
InChI
InChI=1S/C18H19N3O4S/c1-21(16-7-4-13(22)11-19-16)8-9-25-14-5-2-12(3-6-14)10-15-17(23)20-18(24)26-15/h2-7,11,15,22H,8-10H2,1H3,(H,20,23,24)
InChIKey
AGQGGZNSVNKGDU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Hydroxy rosiglitazone
CAS: 257883-22-0
CID: 9864316
Formula: C18H19N3O4S
MW: 373.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass373.10962727
Monoisotopic Mass373.10962727
Topological Polar Surface Area117 Ų
Heavy Atom Count26
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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