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61825-94-3 molecular structure
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platinum(4+) ion (1R,2R)-cyclohexane-1,2-diaminide oxalate

ChemBase ID: 175960
Molecular Formular: C8H12N2O4Pt
Molecular Mass: 395.26988
Monoisotopic Mass: 395.04449787
SMILES and InChIs

SMILES:
C1CCC[C@H]([C@@H]1[NH-])[NH-].[Pt+4].[O-]C(=O)C(=O)[O-]
Canonical SMILES:
[O-]C(=O)C(=O)[O-].[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+4]
InChI:
InChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+4/p-2/t5-,6-;;/m1../s1
InChIKey:
DWAFYCQODLXJNR-BNTLRKBRSA-L

Cite this record

CBID:175960 http://www.chembase.cn/molecule-175960.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
platinum(4+) ion (1R,2R)-cyclohexane-1,2-diaminide oxalate
IUPAC Traditional name
platinum(4+) ion (1R,2R)-cyclohexane-1,2-diaminide oxalate
Synonyms
[SP-4-2-(1R-trans)]-(1,2-Cyclohexanediamine-N,N')[ethanedioato(2-)-O,O']platinum
(SP-4-2)-[(1R,2R)-1,2-Cyclohexanediamine-kN,kN'][ethanedioato(2-)-kO1,kO2]platinum
(1R-trans)-1,2-Cyclohexanediamine Platinum Complex
Dacplat
Eloxatin
Elplat
Lipoxal
Oxalatoplatinum
Oxaliplatin
CAS Number
61825-94-3
PubChem SID
164231870
PubChem CID
11947679

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC O845075 external link Add to cart
PubChem 11947679 external link
Data Source Data ID Price
TRC
O845075 external link Add to cart Please log in.
Data Source Data ID
PubChem 11947679 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.8559394  LogD (pH = 7.4) -2.7383268 
Log P -0.007973737  Molar Refractivity 30.637 cm3
Polarizability 12.746525 Å3 Polar Surface Area 40.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
>245°C (dec.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - O845075 external link
Third generation platinum complex. An antitumor agent with activity against colorectal cancer. Cytotoxicity follows the formation of adducts with DNA. Antineoplastic.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Kidani, Y., et al.: J. Med. Chem., 21, 1315 (1978)
  • • Kizu, R., et al.: Cancer Chemother. Pharmacol., 31, 475 (1978)
  • • Levi, F., et al.: Eur. J. Cancer, 29A, 1280 (1978)
  • • Simpson, D., et al.: Drugs, 63, 2127 (1978)
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PATENTS

PATENTS

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INTERNET

INTERNET

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