4-Pentyn-2-one, 3-hydroxy-3-methyl-5-phenyl-, oxime

CAS 718-21-8 MFCD N/A

化学结构图

718-21-8
SMILES: C/C(=N\O)[C@](C)(O)C#Cc1ccccc1

化学属性

Mol. Weight203.26
Mol. FormulaC12H13NO2

别名和识别编码

Wiswesser Line NotationQNUY1&XQ1&1UU1R
Chemical Name4-Pentyn-2-one, 3-hydroxy-3-methyl-5-phenyl-, oxime
Synonym Oxime of 5-phenyl-3-methylbutyne-4-ol-3-one-2 3-Hydroxy-3-methyl-5-phenyl-4-pentyn-2-one oxime
Beilstein Registry Number3032386
CAS Number718-21-8
InChIKeyOOBRKYBQULLXGD-JLHYYAGUSA-N
PubChem Substance ID9576755
InChIInChI=1S/C12H13NO2/c1-10(13-15)12(2,14)9-8-11-6-4-3-5-7-11/h3-7,14-15H,1-2H3/b13-10+
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安全信息

RTECSSC5500000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3125 mg/kg
TOXIC EFFECTS :
   Vascular - BP lowering not characterized in autonomic section
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 20,336,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1750 mg/kg
TOXIC EFFECTS :
   Vascular - BP lowering not characterized in autonomic section
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 20,336,1965

系列性分类

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