2-(Hydroxymethyl)-2-[(2-methoxyphenoxy)methyl]propane-1,3-diol

CAS 7271-80-9 MFCD07271809

化学结构图

7271-80-9
SMILES: COc1ccccc1OCC(CO)(CO)CO

化学属性

Mol. FormulaC12H18O5
Mol. Weight242.30

别名和识别编码

Chemical Name1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)-
Chemicalbook IDCB22353193
Wiswesser Line NotationQ1X1Q1Q1OR BO1
Synonym 2-Hydroxymethyl-2-(o-methoxyphenoxymethyl)-1,3-propanediol HC 1505
CAS Number7271-80-9
Beilstein Registry Number3302697
InChIKeyAAQFEENIXHFFDP-UHFFFAOYSA-N
PubChem Substance ID81690
InChIInChI=1S/C12H18O5/c1-16-10-4-2-3-5-11(10)17-9-12(6-13,7-14)8-15/h2-5,13-15H,6-9H2,1H3
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安全信息

RTECSTY7100000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 640 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APFRAD Annales Pharmaceutiques Francaises.  (SPPIF, B.P.22, F-41353 Vineuil,
   France)  V.1-    1943-  Volume(issue)/page/year: 24,429,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 610 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 248,3642,1959

系列性分类

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