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Carboplatin
CAS: 41575-94-4 | C6H12N2O4Pt
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41575-94-4
Molecular Formula:
C6H12N2O4Pt
Molecular Mass:
371.25 g/mol
Names and Synonyms:
Carboplatin
Platinum, diammine[1,1-cyclobutanedicarboxylato(2-)-κO,κO′′]-, (SP-4-2)-
Platinum, diammine[1,1-cyclobutanedi(carboxylato-κO)(2-)]-, (SP-4-2)-
1,1-Cyclobutanedicarboxylic acid, platinum complex
(SP-4-2)-Diammine[1,1-cyclobutanedicarboxylato(2-)-κO,κO′′]platinum
cis-Diammine[1,1-cyclobutanedicarboxylato(2-)]platinum
JM 8
cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II)
NSC 241240
cis-Diammine(1,1-cyclobutanedicarboxylato)platinum
CBDCA
cis-Diammineplatinum 1,1-cyclobutanedicarboxylate
Paraplatin
Carboplatinum
Ribocarbo L
Carboplatin
NSC 201345
Carbosin
Cycloplatin
Carbomedac
cis-Diammine(cyclobutane-1,1-dicarboxylate-O,O′)platinum(II)
Paraplat
Identifiers:
SMILES:
N.N.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+2]
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
Key Properties
Melting Point
217 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 371.25 g/mol | CAS Common Chemistry |
| 371.24999999999994 g/mol | RDKit | |
| 371.044497964 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 36.34220000000001 | RDKit |
