(SP-4-2)-[rel-(1R,2R)-1,2-Cyclohexanediamine-κN1,κN2][ethanedioato(2-)-κO1,κO2]platinum

C8H14N2O4PtCAS 63121-00-6397.29 g/mol

Open in Covalent MOL file
H2NH2NOO−OO−Pt2+
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H14N2O4Pt
Molar mass
397.29 g/mol
Exact mass
397.0601 Da
logP
-3.30Crippen estimate
Polar surface area
132.3 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
0
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
63121-00-6
SMILES
N[C@H]1CCCC[C@@H]1N.O=C([O-])C(=O)[O-].[Pt+2]
InChIKey
ZROHGHOFXNOHSO-WHMNLBETNA-L
InChI
InChI=1/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/p-2/t5-,6-;;/s2

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Names and synonyms

6 names
  • Platinum, [rel-(1R,2R)-1,2-cyclohexanediamine-κN1,κN2][ethanedioato(2-)-κO1,κO2]-, (SP-4-2)-
  • Platinum, (1,2-cyclohexanediamine-N,N′)[ethanedioato(2-)-O,O′]-, [SP-4-2-(trans)]-
  • Platinum, [rel-(1R,2R)-1,2-cyclohexanediamine-κN,κN′][ethanedioato(2-)-κO1,κO2]-, (SP-4-2)-
  • 1,2-Cyclohexanediamine, platinum complex, trans-
  • NSC 271670
  • ACT 078

Work with (SP-4-2)-[rel-(1R,2R)-1,2-Cyclohexanediamine-κN1,κN2][ethanedioato(2-)-κO1,κO2]platinum

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Oxaliplatin61825-94-3

Similar compounds

(SP-4-2)-((1R,2R)-1,2-Cyclohexanediamine-kappaN1,kappaN2)bis(tetradecanoato-kappaO)platinum141977-79-951 % similar trans-1,2-Diaminocyclohexane1121-22-848 % similar cis-1,2-Cyclohexanediamine1436-59-548 % similar (-)-trans-1,2-Diaminocyclohexane20439-47-848 % similar (+)-trans-1,2-Diaminocyclohexane21436-03-348 % similar 1,2-Diaminocyclohexane694-83-748 % similar (R,R)-1,2-Diammoniumcyclohexane mono-(+)-tartrate39961-95-042 % similar (1S,2S)-(-)-1,2-Diaminocyclohexane D-tartrate67333-70-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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