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| CAS No.: | 63121-00-6 |
|---|---|
| Name: | Oxaliplatin |
| Molecular Structure: | |
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| Formula: | C6H14N2.C2O4.Pt |
| Molecular Weight: | 397.29 |
| Synonyms: | Oxalato(trans-(-)-1,2-cyclohexanediamine)platinum(II); |
| Boiling Point: | 193.6 °C at 760 mmHg |
| Flash Point: | 75 °C |
| Hazard Symbols: | R36/37/38:; R40:; R42/43:; |
| Risk Codes: | Xn:Harmful; ">  Xn:Harmful; |
| PSA: | 132.30000 |
| LogP: | -1.90070 |
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Specification
The Oxiplatin, with the CAS registry number 63121-00-6, is also known as Oxalato(trans-(-)-1,2-cyclohexanediamine)platinum(II). It belongs to the product category of Anti cancer. This chemical's molecular formula is C6H14N2.C2O4.Pt and molecular weight is 397.29. Its systematic name is called platinum(2+) ethanedioate - cyclohexane-1,2-diamine (1:1:1). This chemical's classification code is Antineoplastic Agents.
Physical properties of Oxiplatin: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.87; (4)ACD/LogD (pH 7.4): -3.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 75 °C; (13)Enthalpy of Vaporization: 42.98 kJ/mol; (14)Boiling Point: 193.6 °C at 760 mmHg; (15)Vapour Pressure: 0.46 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Pt+2].O=C([O-])C([O-])=O.NC1CCCCC1N
(2)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
(3)InChIKey: ZROHGHOFXNOHSO-NUQVWONBAP
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 19800ug/kg (19.8mg/kg) | Rinsho Yakuri. Clinical Pharmacology. Vol. 16, Pg. 147, 1985. | |
| mouse | LD50 | intravenous | 30mg/kg (30mg/kg) | Cancer Treatment Reports. Vol. 61, Pg. 1519, 1977. |