Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00913)
Name
Carboplatin
Synonyms    Click to Show/Hide the Synonyms of This API
41575-94-4; Carboplatin; Paraplatin; Cbdca; Carboplatinum; MFCD00070464; JM-8; NSC-241240; cis-(1,1-Cyclobutanedicarboxylato)diammineplatinum(II); cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II); 1,1-Cyclobutanedicarboxylate diammine platinum(II); DSSTox_CID_26742; DSSTox_RID_81870; DSSTox_GSID_46742; cis-Diammine(1,1-cyclobutanedicarboxylato)platinum; Platinum, diammine[1,1-cyclobutanedi(carboxylato-kO)(2-)]-, (SP-4-2)-; cis-Diamine[1,1-cyclobutanedicarboxylato]platinum(II); CHEBI:31355; CAS-41575-94-4; NSC241240; Platinum, diammine(1,1-cyclobutanedicarboxylato(2-)-O,O')-, (SP-4-2)-; NCGC00015223-08; Platinum(II),1-cyclobutanedicarboxylato)diammine-, cis-; Platinum,1-cyclobutanedicarboxylato(2-)-O,O')-, (SP-4-2)-; Platinum,1-cyclobutanedicarboxylato(2-)-O,O']-, (SP-4-2)-; Epitope ID:194801; Platinum, diammine[1,1-cyclobutanedi(carboxylato-.kappa.O)(2-)]-, (SP-4-2)-; SCHEMBL4964; 1,1-Cyclobutanedicarboxylatodiammineplatinum(II); Paraplatin (Bristol Meyers); C6H6O4Pt.2NH3; Lopac0_000230; HMS3269H03; Pharmakon1600-01502106; EBD50809; Tox21_112586; NSC201345; NSC758182; STL451040; Tox21_112586_1; NSC-201345; NSC-758182; NCGC00167800-01; NCGC00263858-02; BP-25385; H876; SY075575; AB01273939-01; cis-diamminecyclobutanedicarboxylatoplatinum(II);; azanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+); diamino[cyclobutane-1,1-dicarboxylato(2-)-kappa~2~O~1~,O~1~]platinum; Platinum, diammine[1,1-cyclobutanedicarboxylato(2-)-.kappa.O,.kappa.O'']-, (SP-4-2)-
Clinical Status
Approved
PubChem CID
426756
Formula
C6H12N2O4Pt
Canonical SMILES
C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]
InChI
1S/C6H8O4.2H2N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H2;/q;2*-1;+2
InChIKey
VSRXQHXAPYXROS-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=426756"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 371.25 Topological Polar Surface Area 76.6
XlogP N.A. Complexity 177
Heavy Atom Count 13 Rotatable Bond Count 0
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 6
Full List of Drug Formulations (DFMs) Containing This API
          Carboplatin 50mg/5ml injectable Click to Show/Hide the Full List of Formulation(s):          2 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
Mannitol; Water
                   Dosage Form Injectable
                   Company Auromedics Pharma
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [1]
             Drug Formulation 2 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
Water
                   Dosage Form Injectable
                   Company Accord Healthcare ; Ingenus Pharmaceuticals
References
1 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.

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