2-Oxo-2-(Phenylamino)Acetic Acid 2-氧-2-(苯氨基)乙酸

CAS 500-72-1 MFCD00020384

化学结构图

500-72-1
SMILES: O=C(O)C(=O)Nc1ccccc1

化学属性

Mol. FormulaC8H7NO3
Mol. Weight165.15

别名和识别编码

Chemical Name2-Oxo-2-(Phenylamino)Acetic Acid
CAS Number500-72-1
Alfabeta NameANILINOOXOACETICACID 22---
MDL NumberMFCD00020384
EC Number207-910-9
Synonym Acetic acid, oxo(phenylamino)- Anilino(oxo)acetic acid Kyselina oxalanilova N-Phenyloxamic acid Oxamic acid, phenyl- oxanilic acid oxanilic acid, monosodium salt
Chemical Name Translation2-氧-2-(苯氨基)乙酸
Wiswesser Line NotationQVVMR
Beilstein Registry Number2803196
PubChem Substance ID10378
LabNetwork Molecule IDLN00144417
InChIInChI=1S/C8H7NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)
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分类

  • {KO} CarboxylicAcids
  • {SNA} Amides, Amines, Building Blocks, C8, C8 to C20+, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

安全信息

Warnings IRRITANT
WGK Germany3
RTECSRP3150000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 7,395,1955

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
2
H-bond Donors
2
LogP
8.224000000000000e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Amides - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Amides - Carbonyl Compounds
  6. C8 to C20+ - Amides

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