1,2,3-Oxadiazolium, 5-hydroxy-3-(4-methylphenyl)-, inner salt (9CI)

CAS 3483-19-0 MFCD03483190

化学结构图

3483-19-0
SMILES: Cc1ccc(-[n+]2cc([O-])on2)cc1

化学属性

Mol. FormulaC9H8N2O2
Mol. Weight176.19

别名和识别编码

Wiswesser Line NotationT5NNOVJ AR D1
Chemical Name1,2,3-Oxadiazolium, 5-hydroxy-3-(4-methylphenyl)-, inner salt (9CI)
Synonym N-(p-Tolyl)-sydnon Sydnone, 3-(4-methylphenyl)- 3-(4-Methylphenyl)sydnone 3-(p-Tolyl)sydnone 1,2,3-Oxadiazolium, 5-hydroxy-3-(4-methylphenyl)-, inner salt
CAS Number3483-19-0
Beilstein Registry Number3672154
InChIKeyXIIZHMNSBLVHKS-UHFFFAOYSA-N
PubChem Substance ID198878
InChIInChI=1S/C9H8N2O2/c1-7-2-4-8(5-3-7)11-6-9(12)13-10-11/h2-6H,1H3
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安全信息

RTECSWU7694500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 753 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - smooth muscle relaxant (mechanism undefined,
   spasmolytic)
   Behavioral - anticonvulsant
   Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
   ABMGAJ Acta Biologica et Medica Germanica.  (Berlin, Ger. Dem. Rep.) V.1-41,
   1958-82.  For publisher information, see BBIADT. Volume(issue)/page/year:
   14,369,1965

系列性分类

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