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Molecule
Carboplatin
CAS: 41575-94-4 · C6H12N2O4Pt
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 41575-94-4
- Molecular Formula
- C6H12N2O4Pt
- Molecular Mass
- 371.25 g/mol
Identifiers
CAS Registry Number
41575-94-4
SMILES
N.N.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+2]
InChI Key
OLESAACUTLOWQZ-UHFFFAOYSA-L
InChI
InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2
Names and Synonyms
- Carboplatin Common Name
- Platinum, diammine[1,1-cyclobutanedicarboxylato(2-)-κO,κO′′]-, (SP-4-2)- Synonym
- Platinum, diammine[1,1-cyclobutanedi(carboxylato-κO)(2-)]-, (SP-4-2)- Synonym
- 1,1-Cyclobutanedicarboxylic acid, platinum complex Synonym
- (SP-4-2)-Diammine[1,1-cyclobutanedicarboxylato(2-)-κO,κO′′]platinum Synonym
- cis-Diammine[1,1-cyclobutanedicarboxylato(2-)]platinum Synonym
- JM 8 Synonym
- cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II) Synonym
- NSC 241240 Synonym
- cis-Diammine(1,1-cyclobutanedicarboxylato)platinum Synonym
- CBDCA Synonym
- cis-Diammineplatinum 1,1-cyclobutanedicarboxylate Synonym
- Paraplatin Synonym
- Carboplatinum Synonym
- Ribocarbo L Synonym
- Carboplatin Synonym
- NSC 201345 Synonym
- Carbosin Synonym
- Cycloplatin Synonym
- Carbomedac Synonym
- cis-Diammine(cyclobutane-1,1-dicarboxylate-O,O′)platinum(II) Synonym
- Paraplat Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 371.25 g/mol | CAS Common Chemistry |
| 371.24999999999994 g/mol | RDKit | |
| 375.288 g/mol | chempirical lib | |
| Canonical SMILES | O=C1[O-][Pt+2]([O-]C(=O)C12CCC2)([NH3])[NH3] | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=OLESAACUTLOWQZ-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 217 °C | CAS Common Chemistry |
| Name | Carboplatin | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 150.26 Ų | RDKit |
| LogP | -2.0220000000000002 | RDKit |
| -2.022 | RDKit | |
| Molar Refractivity | 36.34220000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 371.044497964 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 371.25 g/mol. Edit any field — others recompute live.
