Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E05PRI)
DIG Name
Erythrosine sodium anhydrous
Synonyms    Click to Show/Hide the Synonyms of This DIG
Erythrosine sodium; 568-63-8; TIF Na; CHEBI:61000; disodium 2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate; Erythrosin B sodium salt (C.I. 45430); Erythrosine (Free Acid); DSSTox_CID_1233; DSSTox_RID_76025; DSSTox_GSID_21233; disodium;2-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate; CAS-16423-68-0; 2-(6-hydroxy-2,4,5,7-tetraiodo-3-oxoxanthen-9-yl)benzoic acid, sodium salt, so dium salt; NSC 36685; ERYTHROSINE SODIUM (OPEN FORM); Erythrosine sodium (open form) [USAN]; Iodoeosine Sodium Salt; FD & C red no. 3; SCHEMBL22294; CHEMBL2028187; DTXSID901015598; HMS3264L03; Tox21_202932; Tox21_302085; SBB058454; STL445510; AKOS001028625; AKOS015903534; CCG-213542; MCULE-6568431757; Benzoic acid, 2-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)-, disodium salt; NCGC00255371-01; NCGC00260478-01; C.I.45430; F0139; ST50411609; ACID RED 51 (ERYTHROSIN B C.I. 45430); Erythrosin B sodium salt (C.I. 45430), certified; W-107946; Q27888290; Z56758124; UNII-B16H36W4W4 component IINNWAYUJNWZRM-UHFFFAOYSA-L; Disodium 2-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl) benzoate; disodium 2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-8a,10a-dihydro-3H-xanthen-9-yl)benzoate; Fluorescein, 2',4',5',7'-tetraiodo-, disodium salt (Benzoic acid tautomeric form)
DIG Function
Colorant
PubChem CID
27872
Formula
C20H6I4Na2O5
Canonical SMILES
C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-].[Na+].[Na+]
InChI
1S/C20H8I4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2
InChIKey
IINNWAYUJNWZRM-UHFFFAOYSA-L
   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=27872"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 879.9 Topological Polar Surface Area 89.5
XlogP N.A. Complexity 797
Heavy Atom Count 31 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 02 Benign/in-situ/malignant neoplasm Click to Show/Hide
Niraparib
 API Info
Ovarian cancer [ICD-11: 2C73]
 [1]
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Cariprazine
 API Info
Bipolar disorder [ICD-11: 6A60]
 [2]
Naltrexone
 API Info
Alcohol dependence [ICD-11: 6C40]
 [3]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Disopyramide
 API Info
Ventricular tachyarrhythmia [ICD-11: BC71]
 [4]
       ICD Disease Classification 15 Musculoskeletal/connective-tissue disease Click to Show/Hide
Tolmetin
 API Info
Rheumatoid arthritis [ICD-11: FA20]
 [5]
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 (estimated based on the structural similarity with CHEMBL177756 ) [6]
                    Structural Similarity Tanimoto coefficient = 0.90070922
                    Tested Species Homo sapiens (Human)
                    UniProt ID MRP3_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 (estimated based on the structural similarity with CHEMBL177756 ) [6]
                    Structural Similarity Tanimoto coefficient = 0.90070922
                    Tested Species Homo sapiens (Human)
                    UniProt ID MRP4_HUMAN
References
1 FDA label for approved niraparib from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved cariprazine from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved naltrexone from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved disopyramide from the official website of the U.S. Food and Drug Administration.
5 FDA label for approved tolmetin from the official website of the U.S. Food and Drug Administration.
6 A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci. 2013 Nov; 136(1):216-41.

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