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Substance Name: 2-Propanone, 1-(2-(2-(diethylamino)ethoxy)phenoxy)-, citrate (1:1)
RN: 106063-76-7
InChIKey: LOCCBSQPKFEKJC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N-O3.C6-H8-O7

Molecular Weight

  • 457.4729
 
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Names and Synonyms

Synonym

  • 1-(2-(2-(Diethylamino)ethoxy)phenoxy)propan-2-one citrate

Systematic Name

  • 2-Propanone, 1-(2-(2-(diethylamino)ethoxy)phenoxy)-, citrate (1:1)

Registry Numbers

CAS Registry Number

  • 106063-76-7

System Generated Number

  • 0106063767

Molecular Formulas

Molecular Formula

  • C15-H23-N-O3.C6-H8-O7

Molecular Formula Fragments

  • C15-H23-N-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C15H23NO3.C6H8O7/c1-4-16(5-2)10-11-18-14-8-6-7-9-15(14)19-12-13(3)17;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-9H,4-5,10-12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

LOCCBSQPKFEKJC-UHFFFAOYSA-N

Smiles

CCN(CC)CCOc1ccccc1OCC(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.