Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0MH5E)
DIG Name
Pigment yellow 3
Synonyms    Click to Show/Hide the Synonyms of This DIG
Pigment yellow 3; 6486-23-3; C.I. Pigment Yellow 3; Yellow pigment; Pigment Yellow 2Z; Fast Yellow 10J; Fast Yellow 15J; Irgalite Yellow VG; Monolite Fast Yellow 10G; Polymo Yellow F7G; Fast Yellow 10JT; Irgalite Yellow VGT; Irgalite Yellow VGX; Siegle Yellow 10G; Versal Yellow 10G; Vulcol Yellow 10G; Fastona Yellow 10G; Hansa Yellow 10GD; Hansa Yellow 10GT; Irgalite Yellow PV4; Oralith Yellow 10G; Pigment Yellow 10G; Silopol Yellow 10G; Hostaperm Yellow IOG; Pigment Yellow 2ZTP; Carnelio Yellow 10G; Hansa Yellow 10-G; Irgalite Yellow 10G; Monolite Yellow 10G; Permansa Yellow 10G; Silosol Yellow 10GN; Arylamide Yellow 10G; Chromatex Yellow 10J; Graphtol Yellow 10GL; Hancock Yellow 1007; Siloton Yellow 10GCL; Helio Fast Yellow 8GM; Isol Aryl Yellow 10G; Mono Fast Yellow 10G; Eljon Fast Yellow 10G; Sanyo Fast Yellow 10G; Syton Fast Yellow 10G; Hansa Yellow 10G extra; Isol Aryl Yellow 10GX; Hansa Yellow 10G Toner; Eljon Fast Yellow 10GX; Tertropigment Yellow 10G; ADC Pigment Yellow 10G; Kromon Yellow 10G Extra; Lutetia Fast Yellow 10J; Lutetia Fast Yellow 12J; Dainichi Fast Yellow 10G; Iroquois Yellow X-1285; Recolite Fast Yellow 10G; Segnale Light Yellow 10G; Tertropigment Yellow 10GT; Toluidine Yellow AH 177; Symuler Fast Yellow 10GH; Irgalite Fast Yellow P10G; Monolite Fast Yellow 10GA; Monolite Fast Yellow 10GV; Recolite Fast Yellow 10GT; Permanent Yellow Toner 10G; Monolite Fast Yellow 10GBA; Eljon Fast Primrose PV Extra; Pigment Lightfast Yellow 2ZTP; Fanchon Yellow (10G) YH-4; Monolite Fast Paper Yellow 10G; Permanent Yellow 10G YT-372; C.I. 11710; Phthalocyanine Light Fast Yellow 2Z; Pigment Phthalocyanine Light Fast Yellow 2Z; 2-[(4-Chloro-2-nitrophenyl)azo]-N-(2-chlorophenyl)-3-oxobutyramide; 2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-chlorophenyl)-3-oxobutanamide; Butanamide, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-N-(2-chlorophenyl)-3-oxo-; Butanamide, 2-((4-chloro-2-nitrophenyl)azo)-N-(2-chlorophenyl)-3-oxo-; Butanamide, 2-[(4-chloro-2-nitrophenyl)azo]-N-(2-chlorophenyl)-3-oxo-; C16H12Cl2N4O4; 2-((4-Chloro-2-nitrophenyl)azo)-N-(2-chlorophenyl)-3-oxobutyramide; Butanamide, 2-(2-(4-chloro-2-nitrophenyl)diazenyl)-N-(2-chlorophenyl)-3-oxo-; EINECS 229-355-1; Hansa Yellow 10G; NSC 17264; CI 11710; Nano Pigment Yellow 3; EC 229-355-1; SCHEMBL340984; SCHEMBL12760919; SCHEMBL12760920; DTXSID40863873; NSC17264; MFCD00071936; NSC-17264; AKOS025310987; Pigment Yellow 3, analytical standard; AS-15319; C.I. Pigment Yellow 3 (VAN) (8CI); O867; C.I.11710; Q27282827; 2-((4-Chloro-2-nitrophenyl)azo)-N-(2-chlorophenyl)-3-oxobutanamid- e; 2-((4-Chloro-2-nitrophenyl)azo)-N-(2-chlorophpenyl)-3-oxobutanami- de; 2-(4-Chloro-2-nitro-phenylazo)-N-(2-chloro-phenyl)-3-oxo-butyramide
DIG Function
Colorant
PubChem CID
94326
Formula
C16H12Cl2N4O4
Canonical SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1Cl)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
1S/C16H12Cl2N4O4/c1-9(23)15(16(24)19-12-5-3-2-4-11(12)18)21-20-13-7-6-10(17)8-14(13)22(25)26/h2-8,15H,1H3,(H,19,24)
InChIKey
QTSNFLIDNYOATQ-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=94326"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 395.2 Topological Polar Surface Area 117
XlogP 4.6 Complexity 569
Heavy Atom Count 26 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Risperidone
 API Info
Schizophrenia [ICD-11: 6A20]
 [1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Cervical cancer HeLa cells (HeLa) 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 = 630 nM (estimated based on the structural similarity with CHEMBL1807120 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.80141844
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0030
            DBT Name: Colon cancer SW480 cells (SW480) 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 = 530 nM (estimated based on the structural similarity with CHEMBL1807120 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.80141844
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0546
            DBT Name: Colon cancer SW620 cells (SW620) 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 = 450 nM (estimated based on the structural similarity with CHEMBL1807120 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.80141844
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0547
References
1 FDA label for approved risperidone from the official website of the U.S. Food and Drug Administration.
2 Synthesis and biological evaluation of 4-nitro-substituted 1,3-diaryltriazenes as a novel class of potent antitumor agents. Eur J Med Chem. 2011 Jul; 46(7):2971-83.

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