Products for Research Use Only
RegisterLogin

Amidotrizoic Acid

CAT: 0572-TRC-A576800-5GSize: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-A576800-5GSize:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
117-96-4
Synonyms
Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-; Benzoic acid, 3,5-diacetamido-2,4,6-triiodo- (6CI,8CI); 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid; 2,4,6-Triiodo-3,5-diacetamidobenzoic acid; 3,5-Diacetamido-2,4,6-triiodobenzoic acid; Amidotrizoic acid; Diatrizoate; Diatrizoic acid; NSC 262168; Odiston; Urografin acid; Urogranoic acid; Urotrast
Hazard Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled
Purity
>95% (HPLC)
Smiles
CC(=O)Nc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I
Molecular Formula
C11 H9 I3 N2 O4
Molecular Weight
613.91
InChI
InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)
Additionnal Information
IUPAC name: 3,5-diacetamido-2,4,6-triiodobenzoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Diatrizoate

Amidotrizoic acid is a member of the class of benzoic acids that is benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, mainly as its N-methylglucamine and sodium salts, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography. It has a role as a xenobiotic, a radioopaque medium and an environmental contaminant. It is a member of acetamides, a member of benzoic acids and an organoiodine compound. It is a conjugate acid of an amidotrizoic acid anion.

CAS Number117-96-4
PubChem CID2140
IUPAC Name3,5-diacetamido-2,4,6-triiodobenzoic acid
Molecular FormulaC11H9I3N2O4
Molecular Weight613.91
XLogP1.8
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity390
SMILES
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I
InChI
InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKey
YVPYQUNUQOZFHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diatrizoate
CAS: 117-96-4
CID: 2140
Formula: C11H9I3N2O4
MW: 613.91
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight613.91
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass613.7696
Monoisotopic Mass613.7696
Topological Polar Surface Area95.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity390
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

Related Products

CatalogName
E917720Ethylenediaminediacetic Acid Dipropionic Acid
TRC-B189000-50GThiobenzoic Acid (94%)(Benzenecarbothioic Acid)
TRC-H714565-100MLHydrobromic Acid Solution (in Acetic Acid)
TRC-B189000-10GThiobenzoic Acid (94%)(Benzenecarbothioic Acid)
TRC-E649890-100GD(-)-Isoascorbic Acid (Erythorbic Acid)
TRC-C987720-10GN-Cyclohexylsulfamic Acid(Cyclamic Acid)
F603495Fluvoxamine Acid Trifluoroacetic Acid Salt
TRC-B189000-100GThiobenzoic Acid (94%)(Benzenecarbothioic Acid)
TRC-E649890-250GD(-)-Isoascorbic Acid (Erythorbic Acid)
TRC-E649890-10GD(-)-Isoascorbic Acid (Erythorbic Acid)

Alternative Products

CatalogName
RM-A130400-01Amidotrizoic Acid
MBS6058659-01Amidotrizoic Acid-d6
001909-01Diatrizoic acid (Amidotrizoic Acid)
441347-01Amidotrizoic Acid Dihydrate
432051-014-Deiodo-amidotrizoic Acid
417392-012-Deiodo Amidotrizoic Acid
458729N-Desacetyl Amido Amidotrizoic Acid
RM-A130404-01Amidotrizoic Acid EP Impurity D
RM-A130403-01Amidotrizoic Acid EP Impurity C
RM-A130405-01Amidotrizoic Acid EP Impurity E

Popular Products