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| CAS No.: | 12607-92-0 |
|---|---|
| Name: | Aceglutamide Aluminum |
| Molecular Structure: | |
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|
|
| Formula: | C35H59 Al3 N10 O24 |
| Molecular Weight: | 1084.98 |
| Synonyms: | L-Glutamine,N2-acetyl-, aluminum complex; Aceglutamide aluminum; Aluminum aceglutamide;Glumal; KW 110 |
| Density: | g/cm3 |
| Melting Point: | 221° (dec) |
| Boiling Point: | 604.9°Cat760mmHg |
| Flash Point: | 319.6°C |
| Safety: | Poison by intravenous route. Moderately toxic by some other routes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. See also ALUMINUM COMPOUNDS. |
| PSA: | 573.37000 |
| LogP: | -1.43070 |
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Chemistry
Molecular Structure of Aluminum aceglutamide (CAS NO.12607-92-0):
IUPAC: Aluminum hydroxide (2R)-2-(acetylamino)-5-amino-5-oxopentanoate (3:4:5)
Molecular Weight:C35H59Al3N10O24
Molecular Weight:1084.8402
Boiling point:604.9oC at 760 mmHg
Flash point:319.6oC
Enthalpy of Vaporization:98.22 kJ/mol
Vapour Pressure:3.42E-16 mmHg at 25oC
SMILES:[Al+3].[Al+3].[Al+3].[O-]C(=O)[C@H](NC(=O)C)CCC(=O)N.[OH-].[OH-].[OH-].[OH-].O=C(N)CC[C@@H](NC(=O)C)C([O-])=O.O=C(N)CC[C@@H](NC(=O)C)C([O-])=O.O=C(N)CC[C@@H](NC(=O)C)C([O-])=O.O=C(N)CC[C@@H](NC(=O)C)C ([O-])=O
InChI:InChI=1/5C7H12N2O4.3Al.4H2O/c5*1-4(10)9-5(7(12)13)2-3-6(8)11;;;;;;;/h5*5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13);;;;4*1H2/q;;;;;3*+3;;;;/p-9/t5*5-;;;;;;;/m11111......./s1
InChIKey: IVVHAAOJLULJLK-GJYPDJPUBD
Toxicity Data With Reference
| 1. | ipr-rat LD50:4200 mg/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3787466 . | ||
| 2. | ivn-rat LD50:400 mg/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3787466 . | ||
| 3. | orl-mus LD50:13,100 mg/kg | NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. 68 (1972),602. | ||
| 4. | ipr-mus LD50:5 g/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3787466 . | ||
| 5. | ivn-mus LD50:460 mg/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3787466 . |
Safety Profile
Poison by intravenous route. Moderately toxic by some other routes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. See also ALUMINUM COMPOUNDS.
Specification
Aluminum aceglutamide with cas registry number of 12607-92-0 is also known as Aceglutamide aluminium ; Aceglutamide aluminum ; Glumal ; N-Acetyl-L-glutamine aluminum salt ; Pentakis (N(sup 2)-acetyl-L-glutaminato)tetrahydroxytrialuminum ; Pentakis(N(sup 2)-acetyl-L-glutaminato)tetrahydroxytrialuminum ; Aluminum, pentakis(N(sup 2)-acetyl-L-glutaminato)tetrahydroxytri- ; Pentakis(N(2)-acetyl-L-glutaminato)tetrahydroxytrialuminum . Aluminum aceglutamide with cas registry number of 12607-92-0 is used as an anti-ulcer drug for the treatment of gastric ulcer.