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111321-67-6 molecular structure
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platinum(6+) ion (1R,2R)-cyclohexane-1,2-diaminide dioxidanide oxalate

ChemBase ID: 167858
Molecular Formular: C8H14N2O6Pt
Molecular Mass: 429.28456
Monoisotopic Mass: 429.04997718
SMILES and InChIs

SMILES:
C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)[O-])[O-].[Pt+6].[OH-].[OH-]
Canonical SMILES:
[O-]C(=O)C(=O)[O-].[NH-][C@@H]1CCCC[C@H]1[NH-].[OH-].[OH-].[Pt+6]
InChI:
InChI=1S/C6H12N2.C2H2O4.2H2O.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);2*1H2;/q-2;;;;+6/p-4/t5-,6-;;;;/m1..../s1
InChIKey:
ANJQIKQBEVISER-NDSUJOINSA-J

Cite this record

CBID:167858 http://www.chembase.cn/molecule-167858.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
platinum(6+) ion (1R,2R)-cyclohexane-1,2-diaminide dioxidanide oxalate
IUPAC Traditional name
platinum(6+) ion (1R,2R)-cyclohexane-1,2-diaminide dioxidanide oxalate
Synonyms
(OC-6-33)-[(1R,2R)-1,2-Cyclohexanediamine-κN1,κN2][ethanedioato(2-)-κO1,κO2]dihydroxyplatinum
[OC-6-33-(1R-trans)]-(1,2-Cyclohexanediamine-N,N')[ethanedioato(2-)-O,O']dihydroxyplatinum
(1R-trans)-1,2-Cyclohexanediamine Platinum Complex
Dihydroxy Oxaliplatin-Pt(IV)
CAS Number
111321-67-6
PubChem SID
162261991
PubChem CID
71316264

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D454185 external link Add to cart
PubChem 71316264 external link
Data Source Data ID Price
TRC
D454185 external link Add to cart Please log in.
Data Source Data ID
PubChem 71316264 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

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D454185 external link
An Oxaliplatin (O845075) derivative. An orally active antitumor cyclohexanediamine-Pt(IV) complex. Oxaliplatin impurity C as per EP.

REFERENCES

REFERENCES

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  • • Yamashita, T., et al.: Biol. Pharma. Bull., 16, 1014 (1993)
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PATENTS

PATENTS

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INTERNET

INTERNET

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