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| CAS No.: | 3230-94-2 |
|---|---|
| Name: | L-Ornithine L-aspartate salt |
| Molecular Structure: | |
|
|
|
| Formula: | C5H12N2O2 |
| Molecular Weight: | 265.266 |
| Synonyms: | Orparan;(2S)-2-amino-4-hydroxy-4-oxobutanoate; [(4S)-4-amino-;L-Ornithine, L-aspartate (1:1);Ornithine, L-, L-aspartate (1:1) (8CI);Aspartic acid compd. with ornithine;Hepamerz;Ormeta;Ornithine aspartate; |
| EINECS: | 221-772-7 |
| Melting Point: | 202.0 to 206.0 °C |
| Boiling Point: | 308.7 °C at 760 mmHg |
| Flash Point: | 140.5 °C |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 189.96000 |
| LogP: | 0.11110 |
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| Conditions | Yield |
|---|---|
| With ammonium carbonate In methanol; water at 70 - 80℃; for 4.16667h; pH=7 - 8; Solvent; | 18.3 g |
| In methanol at 45℃; Solvent; | 21.3 g |
| Conditions | Yield |
|---|---|
| With zinc(II) chloride at 35 - 40℃; for 1.5h; pH=8.3; Reagent/catalyst; Temperature; pH-value; | 115 g |
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Specification
1. Introduction of L-Ornithine L-aspartate salt
L-Ornithine L-aspartate salt, with its IUPAC Name of (2S)-2-amino-4-hydroxy-4-oxobutanoate; [(4S)-4-amino-5-hydroxy-5-oxopentyl]azanium, is one kind of white crystalline powder. L-Ornithine L-Aspartate can be used for making amino acid injection in medical treatment of cirrhosis.
2. Properties of L-Ornithine L-aspartate salt
L-Ornithine L-aspartate salt has the following property datas: (1)H bond acceptors: 4; (2)H bond donors: 5; (3)Freely Rotating Bonds: 6; (4)Polar Surface Area: 29.54; (5)Flash Point: 140.5 °C; (6)Enthalpy of Vaporization: 60.42 kJ/mol; (7)Boiling Point: 308.7 °C at 760 mmHg; (8)Vapour Pressure: 0.00015 mmHg at 25°C.
3. Structure Descriptors of L-Ornithine L-aspartate salt
You could convert the following datas into the molecular structure:
(1)InChI: InChI=1S/C5H12N2O2.C4H7NO4/c6-3-1-2-4(7)5(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,6-7H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)/t4-;2-/m00/s1
(2)InChIKey: InChIKey=IXUZXIMQZIMPSQ-ZBRNBAAYSA-N
(3)Smiles: C([C@@H](C(=O)O)N)CC[NH3+].C([C@@H](C(=O)[O-])N)C(O)=O
4. Toxicity of L-Ornithine L-aspartate salt
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. 6, Pg. 164, 1982. | |
| mouse | LD50 | intravenous | 2gm/kg (2000mg/kg) | "Modern Pharmaceuticals of Japan, III," Tokyo, Japan Pharmaceutical, Medical and Dental Suppl Exporters' Assoc., 1968Vol. -, Pg. 91, 1968. | |
| mouse | LD50 | oral | 5gm/kg (5000mg/kg) | "Modern Pharmaceuticals of Japan, III," Tokyo, Japan Pharmaceutical, Medical and Dental Suppl Exporters' Assoc., 1968Vol. -, Pg. 91, 1968. | |
| mouse | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. 6, Pg. 164, 1982. |
5. Safety Information of L-Ornithine L-aspartate salt
Hazard Codes: Xi
Risk Statements: 36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39:Wear suitable gloves and eye/face protection
WGK Germany: 2
RTECS: CI9463000