Diatrizoic acid

enlarge

Systematic / IUPAC Name: 3,5-Diacetamido-2,4,6-triiodobenzoic acid

ID: Reference1023

Other Names: Diatriazoate;
Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-;
3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid;
Amidotrizoate;
Diatrizoate ; more

Formula: C11H9I3N2O4

Class: Therapeutics/Prescription Drugs

Spectral Data

Diatrizoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments LTQ Orbitrap XL
No. of Spectral Trees 1
No. of Spectra 53
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/14/2016 11:46:16 AM
View Mass Spec Data > >

Identificators

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)
InChI Key YVPYQUNUQOZFHG-UHFFFAOYSA-N
Canonical SMILES CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I
CAS 117964
Splash
Other Names Diatriazoate;
Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-;
3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid;
Amidotrizoate;
Diatrizoate;
Odiston;
Urogranoic acid;
Urografin acid;
Triombrin;
Hypaque;
Gastrografin;
Urotrast;
Urovison;
Methalamic acid;
Renografin 76;
Iothalamate;
Triombrine;
2,4,6-Triiodo-3,5-diacetamidobenzoic acid;
Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-

In Other Databases

KEGG C13429; D01013; D01940; D02015; D02240
ChemSpider 2055; 21240879
HMDb HMDB14416
ChEMBL CHEMBL1201220
ChEBI CHEBI:53691
Wikipedia Diatrizoic acid
DrugBank APRD00913
PubChem 2140
ChemIDPlus 000117964; 000131497; 000737315; 008064128; 077035553; 078371649