Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-methyl-4-oxo-, ethyl ester 3-甲基-4-氧代-4,5,6,7-四氢-1h-吲哚-2-羧酸乙酯

CAS 7272-58-4 MFCD00715541

化学结构图

7272-58-4
SMILES: CCOC(=O)c1[nH]c2c(c1C)C(=O)CCC2

化学属性

Mol. FormulaC12H15NO3
Mol. Weight221.25
Melting Point165-167 °C
Boiling Point428.2±45.0 °C at 760 mmHg

别名和识别编码

Chemical NameIndole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-methyl-4-oxo-, ethyl ester
InChIKeyVQLLFMATRGJDCH-UHFFFAOYSA-N
Wiswesser Line NotationT56 BM FV&TJ CVO2 D1
Synonym Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate {LY} Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate {} {LY} Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate {} {} {LY} Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate {} {} {} {LY} Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate {} {} {} {} {LY} Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate {} {} {} {} {} {LY} Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate {} {} {} {} {} {} {LY} Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate {} {} {} {} {} {} {} {LY} Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate {} {} {} {} {} {} {} {} {LY} Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carbox
CAS Number7272-58-4
Beilstein Registry Number0477542
LabNetwork Molecule IDLN02045143
PubChem Substance ID23697
InChIInChI=1S/C12H15NO3/c1-3-16-12(15)11-7(2)10-8(13-11)5-4-6-9(10)14/h13H,3-6H2,1-2H3
Chemical Name Translation3-甲基-4-氧代-4,5,6,7-四氢-1h-吲哚-2-羧酸乙酯
Canonical SMILESCCOC(=O)C1=C(C)C2=C(CCCC2=O)N1
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安全信息

RTECSNL6015500
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/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: 11,1251,1968

Storage condition

系列性分类


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