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Rosiglitazone-d3

CAT: 0572-TRC-R693502-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R693502-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1132641-22-5
Synonyms
5-[[4-[2-(Methyl-d3-2-pyridinylamino)ethoxy]phenyl]methyl]-2,4-thiazolidinedione
Hazard Statement
Causes serious eye irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])N(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3
Molecular Formula
C18 2H3 H16 N3 O3 S
Molecular Weight
360.45
InChI
InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)/i1D3
Additionnal Information
IUPAC name: 5-[[4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Rosiglitazone-d3
CAS Number1132641-22-5
PubChem CID25225106
IUPAC Name5-[[4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC18H19N3O3S
Molecular Weight360.4
XLogP3.1
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity468
SMILES
[2H]C([2H])([2H])N(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3
InChI
InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)/i1D3
InChIKey
YASAKCUCGLMORW-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Rosiglitazone-d3
CAS: 1132641-22-5
CID: 25225106
Formula: C18H19N3O3S
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass360.13354289
Monoisotopic Mass360.13354289
Topological Polar Surface Area96.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity468
Isotope Atom Count3
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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