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Substance Name: EEDQ
RN: 16357-59-8
UNII: 60O971AN19
InChIKey: GKQLYSROISKDLL-UHFFFAOYSA-N

Note

  • Peptide coupling reagent.

Molecular Formula

  • C14-H17-N-O3

Molecular Weight

  • 247.292
 

Classification Codes

  • Adrenergic Agents
  • Adrenergic alpha-Antagonists
  • Adrenergic Antagonists
  • Alkylating Agents
  • Dopamine Agents
  • Dopamine Antagonists
  • Drug / Therapeutic Agent
  • Neurotransmitter Agents
  • Noxae
  • Serotonin Agents
  • Serotonin Antagonists
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Names and Synonyms

Name of Substance

  • EEDQ

Synonyms

  • 2-Ethoxy-1(2H)-quinolinecarboxylic acid, ethyl ester
  • 5-21-03-00028 (Beilstein Handbook Reference)
  • BRN 0533048
  • EEDQ
  • EINECS 240-418-2
  • NSC 147831
  • UNII-60O971AN19

Systematic Names

  • 1(2H)-Quinolinecarboxylic acid, 2-ethoxy-, ethyl ester
  • 2-Ethoxy-1(2H)-quinolinecarboxylic acid, ethyl ester
  • Ethyl N-(2-ethoxy-1,2-dihydroquinoline)carboxylate

Registry Numbers

CAS Registry Number

  • 16357-59-8

FDA UNII

  • 60O971AN19

System Generated Number

  • 0016357598

Structure Descriptors

InChI

1S/C14H17NO3/c1-3-17-13-10-9-11-7-5-6-8-12(11)15(13)14(16)18-4-2/h5-10,13H,3-4H2,1-2H3

InChIKey

GKQLYSROISKDLL-UHFFFAOYSA-N

Smiles

c12N([C@@H](C=Cc1cccc2)OCC)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 32mg/kg (32mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 49, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 56.5 deg C   EXP
log P (octanol-water) 3.900 (none)   EST
Atmospheric OH Rate Constant 1.68E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.