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Cisplatin
CAS: 15663-27-1 | H6Cl2N2Pt
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15663-27-1
Molecular Formula:
H6Cl2N2Pt
Molecular Weight:
300.046 g/mol
Names and Synonyms:
Cisplatin
Platinum, diamminedichloro-, (SP-4-2)-
Platinum, diamminedichloro-, cis-
(SP-4-2)-Diamminedichloroplatinum
cis-Diamminedichloroplatinum
cis-Dichlorodiamineplatinum(II)
cis-Platinum(II) diaminodichloride
cis-Platinum(II) diamminedichloride
cis-Dichlorodiammineplatinum
cis-Platinous diaminodichloride
cis-Platinum diaminodichloride
cis-Platinumdiammine dichloride
cis-Platinumdiamine dichloride
cis-Diaminodichloroplatinum(II)
NSC 119875
Cisplatin
cis-Platinum II
Platinol
Neoplatin
cis-Platine
Biocisplatinum
cis-DDP
cis-Diamminedichloroplatinum(II)
Platidiam
cis-Platinum
Cisplatinum
CPDD
cis-Platin
cis-Dichlorodiammineplatinum(II)
TR 170
CDDP
DDP
CPPD
cis-Diaminedichloroplatinum(II)
Cisplatyl
Briplatin
DDP (antitumor agent)
Abiplatin
SPI 077
CACP
Lederplatin
Platosin
Platamine
Platiblastin
Platistin
Platinoxan
CPDC
Cismaplat
Citoplatino
Rand
Platinex
Platinol AQ
SPI 077 (complex)
SPI 077B103
Cisplatino
Lipoplatin
Randa
Fauldiscipla
IA-call
CP Ethypharm
LiPlaCis
Cisplatine Mylan
Kemoplat
Citoplax
Maruko
cis-Diaminedichloridoplatinum(II)
cis-Diammineplatinum(II)
Identifiers:
SMILES:
N.N.[Cl-].[Cl-].[Pt+2]
InChI:
InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 300.05 g/mol | Legacy Database |
| cas-canonical-smile | [Cl-][Pt+2]([Cl-])([NH3])[NH3] None | Legacy Database |
| cas-density | 4 x 10-6 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2 None | Legacy Database |
| cas-inchi-key | InChIKey=LXZZYRPGZAFOLE-UHFFFAOYSA-L None | Legacy Database |
| cas-melting-point | 270 °C (decomp) None | Legacy Database |
| cas-name | Cisplatin None | Legacy Database |
| LogP | -5.670500000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 300.046 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 298.955594652 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 70.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.0442 | RDKit |
