CAS No.103775-75-3,Miboplatin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103775-75-3
Name:	Miboplatin

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

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Specification

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