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Iodamide

CAT: 0931-T32167Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T32167Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
440-58-4
Target
Others
Related Pathways
Others
Bioactivity
Iodamide can be used as a contrast medium.
Smiles
O=C(O)C1=C(I)C(NC(=O)C)=C(I)C(=C1I)CNC(=O)C
Molecular Formula
C12H11I3N2O4
Molecular Weight
627.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Iodamide

Iodamide is a benzoic acid compound having iodo substituents at the 2-, 4- and 6-positions, an acetamido substituent at the 3-position and an acetamidomethyl substituent at the 5-position. It has a role as a radioopaque medium. It is a member of benzoic acids and an organoiodine compound.

CAS Number440-58-4
PubChem CID3723
IUPAC Name3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid
Molecular FormulaC12H11I3N2O4
Molecular Weight627.94
XLogP1.7
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity435
SMILES
CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I
InChI
InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKey
VVDGWALACJEJKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iodamide
CAS: 440-58-4
CID: 3723
Formula: C12H11I3N2O4
MW: 627.94
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight627.94
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass627.7853
Monoisotopic Mass627.7853
Topological Polar Surface Area95.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity435
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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