Basic information
- CAS
3230-94-2- Standard SMILES
N[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CCC[NH3+])C(=O)O- InChIKey
IXUZXIMQZIMPSQ-ZBRNBAAYSA-N- Molecular formula
- C9H19N3O6
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.12738533
Overview
See also: Ornithine aspartate (preferred).
Names & identifiers
- Preferred name
- Ornithylaspartate
- IUPAC
- [(4S)-4-amino-4-carboxybutyl]azanium;(2S)-2-amino-4-hydroxy-4-oxobutanoate
- English name
- L-Ornithine L-aspartate salt
- Molecular formula
- C5H12N2O2.C4H7NO4
- Molecular weight
- 265.26
Names & synonyms
OrnithylaspartateEINECS 221-772-7UNII-JA08T3B97O[(4S)-4-amino-4-carboxybutyl]azanium;(2S)-2-amino-4-hydroxy-4-oxobutanoateL-ORNITHINE L-ASPARTATEL-Orn-L-AspOrnithne Aspartateornithineaspartateormetaorparanhepamerz-Ornithine L
Show more names
-aspartate saLL-aspartatesalt
Database identifiers
- CAS
3230-94-2- PubChem CID
- 18599
Properties
Computed structural properties
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 202 to · 202.0 to 206.0 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Aqueous Acid (Sparingly)
- form
- powder
- color
- white
- Odor
- bland
- Water Solubility
- 250 mg/mL · Water: 250 mg/mL (942.47 mM)
- Merck
- 14 · 14,6874
- 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
- InChIKey
- IXUZXIMQZIMPSQ-UHFFFAOYSA-N
- SMILES
- C(O)(=O)[C@H](CCCN)N.C(O)(=O)[C@H](CC(O)=O)N
- LogP
- -0.963 · -0.963 (est)
- CAS DataBase Reference
- 3230 · 3230-94-2(CAS DataBase Reference)
- FDA UNII
- 8 T3B97O · JA08T3B97O
- EPA Substance Registry System
- L-Aspartic acid, compd. with L-ornithine (1:1) (3230-94-2)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- CI9463000
- hs_code
- 29224999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesL-Ornithine L-Aspartate Salt is used as a therapeutic agent in the treatment of hepatic encephalopathy and hepatitis.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
Syntechem Co.,Ltd[email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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