Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0L5MU)
DIG Name
Diatrizoic acid
Synonyms    Click to Show/Hide the Synonyms of This DIG
Diatrizoic acid; amidotrizoic acid; DIATRIZOATE; 117-96-4; Amidotrizoate; Urogranoic acid; 3,5-Diacetamido-2,4,6-triiodobenzoic acid; Urografin acid; Urotrast; Odiston; Methalamic acid; Diat; Triombrin; Diatriazoate; Diatrizoesaure; 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid; Acide amidotrizoique; Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-; Acidum amidotrizoicum; Hypaque; 2,4,6-Triiodo-3,5-diacetamidobenzoic acid; Acidum diacetylaminotrijodbenzoicum; S 17; UNII-5UVC90J1LK; Diatrizoate sodium salt; Gastrografin; Iothalamate; G 2-75; Vascoray; NSC 262168; Diatrizoic acid sodium salt; Renografin 76; Hypaque 50; Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-; diatrizoic acid (anhydrous); 5UVC90J1LK; Amidotrizoic acid;Diatrizoate; amidotrizoic acid (anhydrous); 117-96-4 (acid); CHEBI:53691; NSC-262168; DIAT [German]; Triombrin [Russian]; Amidotrzoique (acide); Urografic acid, sodium salt; Diatrizoesaure [German]; diatrizoic-acid; Ml 216; Win 8308-3; MD-50; NSC61815; MFCD00069960; C11H9I3N2O4; HSDB 4042; Sodium (diacetyldiamine)triiodobenzoate; NCGC00021123-02; EINECS 204-223-6; BRN 2225144; Diatrizoesaeure; Diatrizoic acid [USAN:USP]; Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, monosodium salt; 1189668-69-6; Diatrizoic Acid,(S); Diatrizoic acid (USP); 3,5-diacetamido-2,4,6-triiodo-benzoic acid; EC 204-223-6; Amidotrizoic acid (JP17); cid_8566; SCHEMBL8508; 3,4,6-triiodobenzoic acid; DSSTox_CID_24521; DSSTox_RID_80288; DSSTox_GSID_44521; Amidotrizoate (*sodium salt*); (Diacetyldiamine)triiodobenzoate; CHEMBL1201220; DTXSID0044521; BDBM62875; HMS2094A11; Pharmakon1600-01505777; HY-B0926; ZINC4097476; Tox21_301929; ANW-41541; NSC262168; NSC760390; s4563; Amidotrizoic acid, analytical standard; AKOS001073646; AC-4695; CCG-213547; DB00271; MCULE-8826505259; NSC-760390; VZ25680; WLN: 1VMR BI DI FI CVQ EMV1; 3,5-Diacetamido-2,4,6-triiodobenzoate; NCGC00021123-01; NCGC00255848-01; 2,6-Triiodo-3,5-diacetamidobenzoic acid; AS-68015; CAS-117-96-4; H919; SBI-0206932.P001; Benzoic acid,5-diacetamido-2,4,6-triiodo-; D1462; FT-0624622; 3,5-diacetylamino-2,4,6-triiodobenzoic acid; 3,5-Di(acetamido)-2,4,6-triiodobenzoic Acid; D02240; 3,5-Bis(acetamido)-2,4,6-triiodobenzoic Acid; AB00979425-01; AB00979425_02; Benzoic acid,5-bis(acetylamino)-2,4,6-triiodo-; Q411511; J-003688; Z56886396; 3, 5-Diacetamido-2,4,6-triiodobenzoic acid, sodium salt; Diatrizoic acid dihydrate, meets USP testing specifications; Benzoic acid, 3,5-diacetamido-2,4, 6-triiodo-, sodium salt; 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid; Diatrizoic acid; Diatrizoic acid, United States Pharmacopeia (USP) Reference Standard; Amidotrizoic acid dihydrate, European Pharmacopoeia (EP) Reference Standard; Amidotrizoic acid for system suitability, European Pharmacopoeia (EP) Reference Standard; 3,5-diacetamido-2,4,6-triiodo-benzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; 3,5-diacetamido-2,4,6-tris(iodanyl)benzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
DIG Function
Other agent
PubChem CID
2140
Formula
C11H9I3N2O4
Canonical SMILES
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I
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
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=2140"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 613.91 Topological Polar Surface Area 95.5
XlogP 1.8 Complexity 391
Heavy Atom Count 20 Rotatable Bond Count 3
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Primary active transporter (PAT)
            DBT Name: Multidrug resistance protein 3 (ABCC3) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 133000 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID MRP3_HUMAN
            DBT Name: Bile salt export pump (BSEP) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 133000 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ABCBB_HUMAN
            DBT Name: Multidrug resistance protein 4 (ABCC4) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 133000 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID MRP4_HUMAN
            DBT Name: Multidrug resistance protein 2 (ABCC2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 133000 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID MRP2_HUMAN
References
1 A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci. 2013 Nov; 136(1):216-41.

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