Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01322)
Name
Pegaspargase
Synonyms    Click to Show/Hide the Synonyms of This API
116218-49-6; 2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4-dimethylphenyl)-; NSC382000; Pegaspargase; MLS002701709; ACMC-20mm1c; CHEMBL1705708; SCHEMBL15245121; DTXSID80331167; 2-(dimethylaminomethyl)-1-(2,4-dimethylphenyl)prop-2-en-1-one; ZINC61860580; NCI60_003626; SMR001565306; 1-(2,4-Dimethylphenyl)-2-(dimethylaminomethyl)-2-propene-1-one; 2-((Dimethylamino)methyl)-1-(2,4-dimethylphenyl)-2-propen-1-one
Clinical Status
Approved
PubChem CID
436058
Formula
C14H19NO
Canonical SMILES
CC1=CC(=C(C=C1)C(=O)C(=C)CN(C)C)C
InChI
1S/C14H19NO/c1-10-6-7-13(11(2)8-10)14(16)12(3)9-15(4)5/h6-8H,3,9H2,1-2,4-5H3
InChIKey
QXLQZLBNPTZMRK-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=436058"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 217.31 Topological Polar Surface Area 20.3
XlogP 2.8 Complexity 270
Heavy Atom Count 16 Rotatable Bond Count 4
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Full List of Drug Formulations (DFMs) Containing This API
          Pegaspargase 750 units/vial injectable Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Sodium Phosphate; Dihydrate; Sodium Phosphate; Sodium Chloride; Water
                   Dosage Form Injectable
                   Company Servier Pharmaceuticals

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.