N-Acetyl-L-aspartic acid N-乙烯基-L-天冬氨酸

CAS 997-55-7 MFCD00020500

化学结构图

997-55-7
SMILES: CC(=O)N[C@@H](CC(=O)O)C(=O)O

化学属性

Mol. FormulaC6H9NO5
Mol. Weight175.14
Melting Point137-140°C
Boiling Point425.3±35.0 °C at 760 mmHg

别名和识别编码

Chemical NameN-Acetyl-L-aspartic acid
MDL NumberMFCD00020500
CAS Number997-55-7
PubChem Substance ID65065
Beilstein Registry Number1726198
EC Number213-643-9
Synonym N-Acetyl-L-aspartic acid {LY} N-Acetyl-L-aspartic acid {} {LY} N-Acetyl-L-aspartic acid {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {} {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {} {} {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {} {} {} {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {} {} {} {} {} {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Acetyl-L-aspartic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {}
Chemical Name TranslationN-乙烯基-L-天冬氨酸
Merck Number13,845
LabNetwork Molecule IDLN00195578
InChIInChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
Canonical SMILESO=C(O)C[C@@H](C(O)=O)NC(C)=O
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分类

  • {SNA} Amino Acid Derivatives, Aspartic Acid, Chemical Biology, Chemical Synthesis, Peptide Chemistry
  • {SNA} Amino Acids & Derivatives, Aspartic Acid, Chemical Biology, Chemical Synthesis, Peptide Chemistry

相关文献及参考

  • [1]. Birken DL, et al. N-acetyl-L-aspartic acid: a literature review of a compound prominent in 1H-NMR spectroscopic studies of brain. Neurosci Biobehav Rev. 1989 Spring;13(1):23-31.

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
RTECSCI9098600
Storage condition 2-8°C {LY} 2-8°C Store at 0 {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2660 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 25,569,1991

Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

其他信息

  • 比旋光度:52 ° (c=1, HAc)
  • Sigma Aldrich:997-55-7(sigmaaldrich)
  • MOL 文件:997-55-7.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Peptide Chemistry 多肽化学
  4. Amino Acid Derivatives 氨基酸及其衍生物
  5. Aspartic Acid - Amino Acid Derivatives
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Amino Acids 氨基酸
  4. Modified Amino Acids - Amino Acids
  5. Amino alcohols
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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