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CAS No.: | 103775-75-3 |
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Name: | Miboplatin |
Molecular Structure: | |
Formula: | C11H18N2O4Pt |
Molecular Weight: | 437.3556 |
Synonyms: | Platinum,[1,1-cyclobutanedi(carboxylato-kO)(2-)](2-pyrrolidinemethanamine-kN1,kN2)-, [SP-4-3-[1R-(cis)]]-;1,1-Cyclobutanedicarboxylic acid, platinumcomplex;2-Pyrrolidinemethanamine, platinum complex, (R)-;Platinum,[1,1-cyclobutanedicarboxylato(2-)](2-pyrrolidinemethanamine-Na,N1)-, [SP-4-3-(1R-cis)]-;DWA2114R;Miboplatin; |
Boiling Point: | 366.4 °C at 760 mmHg |
Flash Point: | 189.6 °C |
PSA: | 87.57000 |
LogP: | 1.19140 |
The Miboplatin, with cas registry number 103775-75-3, has the systematic name of platinum(2+) cyclobutane-1,1-dicarboxylate - 1-[(2R)-pyrrolidin-2-yl]methanamine (1:1:1). And its IUPAC name is cyclobutane-1,1-dicarboxylate; platinum(2+); [(2R)-pyrrolidin-2-yl]methanamine.
Physical properties about this chemical are: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.6; (4)ACD/LogD (pH 7.4): -4.19; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 74.6 Å2; (13)Enthalpy of Vaporization: 67.31 kJ/mol; (14)Vapour Pressure: 2.27E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Pt+2].[O-]C(=O)C1(C([O-])=O)CCC1.NC[C@@H]1NCCC1
(2)InChI: InChI=1/C6H8O4.C5H12N2.Pt/c7-4(8)6(5(9)10)2-1-3-6;6-4-5-2-1-3-7-5;/h1-3H2,(H,7,8)(H,9,10);5,7H,1-4,6H2;/q;;+2/p-2/t;5-;/m.1./s1
(3)InChIKey: XXUHLUDUCZQMDI-XBJGWBHFBZ
(4)Std. InChI: InChI=1S/C6H8O4.C5H12N2.Pt/c7-4(8)6(5(9)10)2-1-3-6;6-4-5-2-1-3-7-5;/h1-3H2,(H,7,8)(H,9,10);5,7H,1-4,6H2;/q;;+2/p-2/t;5-;/m.1./s1
(5)Std. InChIKey: XXUHLUDUCZQMDI-UTYJZAQGSA-L
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | intravenous | 40mg/kg (40mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 20(Suppl, |
mouse | LD50 | intravenous | 150mg/kg (150mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BLOOD: CHANGES IN SPLEEN SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 20(Suppl, |
rat | LD50 | intravenous | 107mg/kg (107mg/kg) | GASTROINTESTINAL: OTHER CHANGES BLOOD: CHANGES IN SPLEEN SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 20(Suppl |