Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0T0EN)
DIG Name
Caramel
Synonyms    Click to Show/Hide the Synonyms of This DIG
3,5-Dimethyl-1,2-cyclopentanedione; 13494-07-0; 3,5-Dimethyl-1,2-cyclopentadione; 3,5-Dimethylcyclopentane-1,2-dione; 1,2-Cyclopentanedione, 3,5-dimethyl-; Caramel; 8028-89-5; caramel dione; CARAMEL COLOR A; Fema3269; DSSTox_CID_27660; DSSTox_RID_82483; DSSTox_GSID_47660; SCHEMBL873396; CHEMBL3183686; DTXSID0047660; Tox21_302565; MFCD00143076; 3,5-dimethyl-cyclopentane-1,2-dione; AKOS015898994; NCGC00256668-01; AS-61756; CAS-13494-07-0; 3,5-Dimethyl-1,2-cyclopentadione, >=97%; 2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one, 9CI; W-108275
DIG Function
Colorant; Flavoring agent
PubChem CID
61634
Formula
C7H10O2
Canonical SMILES
CC1CC(C(=O)C1=O)C
InChI
1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3
InChIKey
MIDXCONKKJTLDX-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=61634"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 126.15 Topological Polar Surface Area 34.1
XlogP 0.7 Complexity 142
Heavy Atom Count 9 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Olsalazine
 API Info
Ulcerative colitis [ICD-11: DD71]
 [1]
       ICD Disease Classification 16 Genitourinary system disease Click to Show/Hide
Ibuprofen
 API Info
Dysmenorrhea [ICD-11: GA34]
 [2]
References
1 FDA label for approved olsalazine from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved ibuprofen from the official website of the U.S. Food and Drug Administration.

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