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Molecule
Satraplatin
CAS: 129580-63-8 · C10H22Cl2N2O4Pt
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 129580-63-8
- Molecular Formula
- C10H22Cl2N2O4Pt
- Molecular Mass
- 500.28 g/mol
Identifiers
CAS Registry Number
129580-63-8
SMILES
CC(=O)[O-].CC(=O)[O-].N.NC1CCCCC1.[Cl-].[Cl-].[Pt+4]
InChI Key
CKNPWBAXEKSCRG-UHFFFAOYSA-J
InChI
InChI=1S/C6H13N.2C2H4O2.2ClH.H3N.Pt/c7-6-4-2-1-3-5-6;2*1-2(3)4;;;;/h6H,1-5,7H2;2*1H3,(H,3,4);2*1H;1H3;/q;;;;;;+4/p-4
Names and Synonyms
- Satraplatin Synonym
- Platinum, bis(acetato-κO)amminedichloro(cyclohexanamine)-, (OC-6-43)- Synonym
- Platinum, bis(acetato-O)amminedichloro(cyclohexanamine)-, (OC-6-43)- Synonym
- Cyclohexanamine, platinum complex Synonym
- JM 216 Synonym
- Satraplatin Synonym
- BMY 45594 Synonym
- POplat Synonym
- BMS 182751 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 500.28 g/mol | CAS Common Chemistry |
| 500.27999999999986 g/mol | RDKit | |
| 506.328 g/mol | chempirical lib | |
| Canonical SMILES | O=C([O-][Pt+4]([Cl-])([Cl-])([O-]C(=O)C)([NH3])[NH2]C1CCCCC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H13N.2C2H4O2.2ClH.H3N.Pt/c7-6-4-2-1-3-5-6;2*1-2(3)4;;;;/h6H,1-5,7H2;2*1H3,(H,3,4);2*1H;1H3;/q;;;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=CKNPWBAXEKSCRG-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Satraplatin | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 141.28 Ų | RDKit |
| LogP | -7.0423000000000044 | RDKit |
| -7.0423 | RDKit | |
| Molar Refractivity | 57.444500000000026 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 499.060453644 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 500.28 g/mol. Edit any field — others recompute live.
