(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

Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 0
Stereocentres: S, Sin SMILES atom order

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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Type any one amount. The others follow from the molar mass.

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

Similar compounds

(Sp-4-2)-[(1R,2R)-1,2-cyclohexanediamine-κN1,κN2]bis(tetradecanoato-κO)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-tartaric acid salt67333-70-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Oxaliplatin61825-94-3

Elsewhere

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