4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate

CAS 1746-65-2 MFCD N/A

化学结构图

1746-65-2
SMILES: CN(C)Cc1oc(C(=O)O)cc(=O)c1O

化学属性

Mol. Weight231.23
Mol. FormulaC9H11NO5.H2O

别名和识别编码

Wiswesser Line NotationT6O DVJ B1N1&1 CQ FVQ &QH
Chemical Name4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate
Synonym 6-(Dimethylaminomethyl)comenic acid hydrate
CAS Number1746-65-2
InChIKeyVOTDRCFZXCKSFW-UHFFFAOYSA-N
PubChem Substance ID3035275
InChIInChI=1S/C9H11NO5/c1-10(2)4-7-8(12)5(11)3-6(15-7)9(13)14/h3,12H,4H2,1-2H3,(H,13,14)
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安全信息

RTECSUP7025000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 12,230,1978

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