Indole, 3-(N-ethyl-N-(4-hydroxybutyl)amino)ethyl-, 3,4,5-trimethoxybenzoate (ester)

CAS 1061-89-8 MFCD N/A

化学结构图

1061-89-8
SMILES: CCN(CCCCOC(=O)c1cc(OC)c(OC)c(OC)c1)CCc1c[nH]c2ccccc12

化学属性

Mol. Weight454.62
Mol. FormulaC26H34N2O5

别名和识别编码

Chemical NameIndole, 3-(N-ethyl-N-(4-hydroxybutyl)amino)ethyl-, 3,4,5-trimethoxybenzoate (ester)
Chemicalbook IDCB52251348
Wiswesser Line NotationT56 BMJ D2N2&4OVR CO1 DO1 EO1
Synonym Benzoic acid, 3,4,5-trimethoxy-,
Beilstein Registry Number0501898
CAS Number1061-89-8
InChIKeyVMXIQTHYNDPIGK-UHFFFAOYSA-N
PubChem Substance ID14000
InChIInChI=1S/C26H34N2O5/c1-5-28(14-12-19-18-27-22-11-7-6-10-21(19)22)13-8-9-15-33-26(29)20-16-23(30-2)25(32-4)24(17-20)31-3/h6-7,10-11,16-18,27H,5,8-9,12-15H2,1-4H3
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安全信息

RTECSNL8755000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 130 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: 6,97,1963

系列性分类

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