1,2,3-Oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt (9CI) 3-(4-甲氧基苯基)-3H-1,2,3-恶二唑-1-鎓-5-醇酯

CAS 3815-80-3 MFCD25948962

化学结构图

3815-80-3
SMILES: COc1ccc(-n2cc([O-])[o+]n2)cc1

化学属性

Mol. Weight192.19
Mol. FormulaC9H8N2O3

别名和识别编码

Chemical Name Translation3-(4-甲氧基苯基)-3H-1,2,3-恶二唑-1-鎓-5-醇酯
InChIKeyMDXSZGJOBTZROY-UHFFFAOYSA-N
Chemical Name3-(4-Methoxyphenyl)-3H-1,2,3-oxadiazol-1-ium-5-olate
Wiswesser Line NotationT5NNOVJ AR DO1
Synonym N-(p-Methoxyphenyl)-sydnon 3-(p-Methoxyphenyl)sydnone 1,2,3-Oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt N-p-Anisylsydnone 3-(4-Methoxyphenyl)sydnone
CAS Number3815-80-3
LabNetwork Molecule IDLN00203350
PubChem Substance ID199183
InChIInChI=1S/C9H8N2O3/c1-13-8-4-2-7(3-5-8)11-6-9(12)14-10-11/h2-6H,1H3
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安全信息

RTECSWU7690300 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 461 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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