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Propyliodone

CAT: 0013-GTR19193025-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193025-01Size:25 mg
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Description
Proiodarone is a radiopaque contrast agent employed in bronchographic imaging studies. Its application in respiratory research is noted, with literature indicating it can induce hyperthyroidism, making it relevant for investigating thyroid function in experimental models.
CAS Number
587-61-1
Field of Research
Pharmacology & Drug Discovery
Smiles
C (C (OCCC) =O) N1C=C (I) C (=O) C (I) =C1
Molecular Formula
C10H11I2NO3
Molecular Weight
447.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Propyliodone

Propyliodone is an organic molecular entity.

CAS Number587-61-1
PubChem CID4949
IUPAC Namepropyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
Molecular FormulaC10H11I2NO3
Molecular Weight447.01
XLogP2.4
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity341
SMILES
CCCOC(=O)CN1C=C(C(=O)C(=C1)I)I
InChI
InChI=1S/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3
InChIKey
ROSXARVHJNYYDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propyliodone
CAS: 587-61-1
CID: 4949
Formula: C10H11I2NO3
MW: 447.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.01
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass446.88284
Monoisotopic Mass446.88284
Topological Polar Surface Area46.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity341
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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