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| Name |
Suxibuzone |
EINECS | N/A |
| CAS No. | 27470-51-5 | Density | 1.265g/cm3 |
| PSA | 104.22000 | LogP | 3.69600 |
| Solubility | N/A | Melting Point |
126-127° |
| Formula | C24H26 N2 O6 | Boiling Point | 590.1°C at 760 mmHg |
| Molecular Weight | 438.48 | Flash Point | 310.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and intravenous routes. Moderately toxic by subcutaneous route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | 20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
Butanedioicacid, mono[(4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl] ester (9CI);Succinic acid, monoester with4-butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione (8CI);3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-, hydrogensuccinate (ester) (8CI); 4-Hydroxymethylbutazolidine hemisuccinate; AE 17;Calibene; Danilon; Flogos; Solurol; Suxibutazone; Suxibuzone |
Suxibuzone Chemical Properties
Molecule structure of Suxibuzone (CAS NO.27470-51-5) :
IUPAC Name: 4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid
Molecular Weight: 438.47304 g/mol
Molecular Formula: C24H26N2O6
Density: 1.265 g/cm3
Boiling Point: 590.1 °C at 760 mmHg
Flash Point: 310.7 °C
Index of Refraction: 1.579
Molar Refractivity: 115.17 cm3
Molar Volume: 346.4 cm3
Polarizability: 45.66×10-24 cm3
Surface Tension: 53.2 dyne/cm
Enthalpy of Vaporization: 92.6 kJ/mol
Vapour Pressure: 9.05E-15 mmHg at 25 °C
XLogP3-AA: 3.6
H-Bond Donor: 1
H-Bond Acceptor: 6
Rotatable Bond Count: 11
Exact Mass: 438.179087
MonoIsotopic Mass: 438.179087
Topological Polar Surface Area: 104
Heavy Atom Count: 32
Complexity: 661
Canonical SMILES: CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O
InChI: InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)
InChIKey: ONWXNHPOAGOMTG-UHFFFAOYSA-N
EINECS of Suxibuzone (CAS NO.27470-51-5) : 248-477-6
Suxibuzone Toxicity Data With Reference
| 1. | orl-rat LD50:1700 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 12 (1981),1204. | ||
| 2. | scu-rat LD50:410 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 12 (1981),1204. | ||
| 3. | ivn-rat LD50:305 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 12 (1981),1204. | ||
| 4. | orl-mus LD50:1200 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 12 (1981),1204. | ||
| 5. | scu-mus LD50:520 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 12 (1981),1204. | ||
| 6. | ivn-mus LD50:285 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 12 (1981),1204. | ||
| 7. | orl-dog LD50:373 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 20 (1980),265. | ||
| 8. | orl-rbt LD50:1266 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 20 (1980),265. |
Suxibuzone Safety Profile
Poison by ingestion and intravenous routes. Moderately toxic by subcutaneous route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: 
Xn
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: WM9640000
Suxibuzone Specification
Suxibuzone (CAS NO.27470-51-5) is also called 3-((4-Butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methoxycarbonyl)propionsaeure ; 4-Butyl-4-(beta-carboxypropionyl-oxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione ; 4-Butyl-4-hydroxymethyl-1,2-diphenyl-3,5-pyrazolidinedione hydrogen succinate ; 4-Hydroxymethylbutazolidine hemisuccinate ; Aflogan ; Alfide ; BRN 0904563 ; Calibene ; Danilon ; Flamilon ; Flogos ; Solurol ; Suxibuzona [INN-Spanish] ;
Suxibuzonum [INN-Latin] ; UNII-86TDZ5WP2B .
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