N-Acetyl-3-(o-boronophenyl)alanine

CAS 5115-46-8 MFCD N/A

化学结构图

5115-46-8
SMILES: CC(=O)N[C@@H](Cc1ccccc1B(O)O)C(=O)O

化学属性

Mol. Weight251.07
Mol. FormulaC11H14BNO5

别名和识别编码

Chemical NameAlanine, N-acetyl-3-(o-boronophenyl)-
Chemicalbook IDCB82407243
Synonym o-(2-Acetamido-2-carboxyethyl)benzeneboronic acid o-(2-Carboxy-2-acetamidoethyl)benzeneboronic acid N-Acetyl-3-(o-boronophenyl)alanine Benzeneboronic acid, o-(2-acetamido-2-carboxyethyl)-
Wiswesser Line NotationQBQR B1YVQMV1
Beilstein Registry Number3103778
CAS Number5115-46-8
InChIKeyNQAHBDDIAHDMMA-UHFFFAOYSA-N
PubChem Substance ID21192
InChIInChI=1S/C11H14BNO5/c1-7(14)13-10(11(15)16)6-8-4-2-3-5-9(8)12(17)18/h2-5,10,17-18H,6H2,1H3,(H,13,14)(H,15,16)
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安全信息

RTECSAY3054000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5720 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New
   York, John Wiley & Sons, Inc., 1964  Volume(issue)/page/year: -,693,1964

系列性分类

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