CAS 500-72-1 MFCD00020384-2-Oxo-2-(Phenylamino)Acetic Acid 2-氧-2-(苯氨基)乙酸 TAO{mole}

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

CAS 500-72-1 MFCD00020384

化学结构图

SMILES: O=C(O)C(=O)Nc1ccccc1

化学属性

Mol. Formula	C8H7NO3
Mol. Weight	165.15

别名和识别编码

Chemical Name	2-Oxo-2-(Phenylamino)Acetic Acid
CAS Number	500-72-1
Alfabeta Name	ANILINOOXOACETICACID 22---
MDL Number	MFCD00020384
EC Number	207-910-9
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 Translation	2-氧-2-(苯氨基)乙酸
Wiswesser Line Notation	QVVMR
Beilstein Registry Number	2803196
PubChem Substance ID	10378
LabNetwork Molecule ID	LN00144417
InChI	InChI=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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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

Lipinski's Rule of 5

H-bond Acceptors

Rotatable Bonds

H-bond Donors

LogP

8.224000000000000e-001