6,7,8,9-Tetrahydro-6-oxo-2,3,4-trimethoxy-5H-benzocycloheptene-5-propanoic acid

CAS 972-63-4 MFCD00972634

化学结构图

972-63-4
SMILES: COc1cc2c(c(OC)c1OC)C(CCC(=O)O)C(=O)CCC2

化学属性

Mol. Weight322.39
Mol. FormulaC17H22O6

别名和识别编码

Chemical Name5H-Benzocycloheptene-5-propanoic acid, 6,7,8,9-tetrahydro-6-oxo-2,3,4-trimethoxy-
Synonym 6,7,8,9-Tetrahydro-6-oxo-2,3,4-trimethoxy-5H-benzocycloheptene-5-propanoic acid beta-(6-Oxo-2,3,4-trimethoxybenzocycloheptan-5-yl)propionic acid 6-Oxo-2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-propanoic acid
Beilstein Registry Number1662704
CAS Number972-63-4
InChIKeySUMAXQBVIKKRMD-UHFFFAOYSA-N
PubChem Substance ID120868
InChIInChI=1S/C17H22O6/c1-21-13-9-10-5-4-6-12(18)11(7-8-14(19)20)15(10)17(23-3)16(13)22-2/h9,11H,4-8H2,1-3H3,(H,19,20)
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安全信息

RTECSDE8380200 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 16,1394,1973

系列性分类

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