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Iodipamide

CAT: 0926-FI24595-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FI24595-04Size:100 mg
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CAS Number
606-17-7
Synonyms
3,3'-[ (1,6-Dioxo-1,6-hexanediyl) diimino]bis[2,4,6-triiodobenzoic acid
MDL Number
MFCD00058983
Smiles
C1=C (C (=C (C (=C1I) NC (=O) CCCCC (=O) NC2=C (C=C (C (=C2I) C (=O) O) I) I) I) C (=O) O) I
Molecular Formula
C20H14I6N2O6
Molecular Weight
1,139.76 g/mol
Controlled
No

Chemical Information

Adipiodon

Adipiodone is an organoiodine compound that is 3-amino-2,4,6-triiodobenzoic acid in which one of the amino hydrogens is substituted by a 6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl group. It is a water-soluble radiographic contrast media for cholecystography and intravenous cholangiography. It has a role as a radioopaque medium. It is a secondary carboxamide, a member of benzoic acids and an organoiodine compound. It is a conjugate acid of an adipiodone(2-).

CAS Number606-17-7
PubChem CID3739
IUPAC Name3-[[6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid
Molecular FormulaC20H14I6N2O6
Molecular Weight1139.8
XLogP5.5
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity714
SMILES
C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I
InChI
InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
InChIKey
FFINMCNLQNTKLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adipiodon
CAS: 606-17-7
CID: 3739
Formula: C20H14I6N2O6
MW: 1139.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1139.8
XLogP35.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass1139.5120
Monoisotopic Mass1139.5120
Topological Polar Surface Area133 Ų
Heavy Atom Count34
Formal Charge0
Complexity714
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

Alternative Products

CatalogName
MBS575697Iodipamide
GTR19319321-01Iodipamide meglumine
HY-B1292R-01Iodipamide (Standard)
HY-B1292BIodipamide (meglumine)
318062Iodipamide (free base)
280442-01Iodipamide discontinued. See 014858

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