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Chemistry

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Also known as: Nedaplatin, 95734-82-0, Nsc 375101d, Azane;2-hydroxyacetic acid;platinum, C2h8n2o3pt, C2-h8-n2-o3-pt

Molecular Formula

C₂H₁₀N₂O₃Pt

Molecular Weight

305.20 g/mol

InChI Key

ZAXCMPAWRCMABN-UHFFFAOYSA-N

Nedaplatin is a second-generation cisplatin analogue with antineoplastic activity. Containing a novel ring structure in which glycolate is bound to the platinum by a bidentate ligand, nedaplatin forms reactive platinum complexes that bind to nucelophillic groups in DNA, resulting in intrastrand and interstrand DNA cross-links, apoptosis and cell death. This agent appears to be less nephrotoxic and neurotoxic compared to both cisplatin and carboplatin.

1 2D Structure

Nedaplatin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

azane;2-hydroxyacetic acid;platinum

2.1.2 InChI

InChI=1S/C2H4O3.2H3N.Pt/c3-1-2(4)5;;;/h3H,1H2,(H,4,5);2*1H3;

2.1.3 InChI Key

ZAXCMPAWRCMABN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(C(=O)O)O.N.N.[Pt]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (glycolato-o,o')diammineplatinum Ii

2. 254-s

3. Cgdp-ii

4. Cis-diammine(glycolato)platinum Ii

5. Nedaplatin

6. Nsc 375101d

7. Nsc-375101d

2.2.2 Depositor-Supplied Synonyms

1. Nedaplatin

2. 95734-82-0

3. Nsc 375101d

4. Azane;2-hydroxyacetic Acid;platinum

5. C2h8n2o3pt

6. C2-h8-n2-o3-pt

7. Nsc-375101d

8. Cis-diammine(glycolato)platinum(ii)

9. (glycolato-o,o')diammineplatinum(ii)

10. Hms2089p16

11. Akos025311233

2.3 Create Date

2006-07-28

3 Chemical and Physical Properties

Molecular Formula	C₂H₁₀N₂O₃Pt
Molecular Weight	305.20 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	59.5
Heavy Atom Count	8
Formal Charge	0
Complexity	44.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4