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Substance Name: 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1)
RN: 106063-80-3
InChIKey: RFVGMKUHOCHMJM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N-O3.C6-H8-O7

Molecular Weight

  • 547.597
 
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Names and Synonyms

Synonym

  • 3-(2-(2-(Diethylamino)ethoxy)phenoxy)-4-phenylbutan-2-one citrate

Systematic Name

  • 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1)

Registry Numbers

CAS Registry Number

  • 106063-80-3

System Generated Number

  • 0106063803

Molecular Formulas

Molecular Formula

  • C22-H29-N-O3.C6-H8-O7

Molecular Formula Fragments

  • C22-H29-N-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29NO3.C6H8O7/c1-4-23(5-2)14-15-25-20-12-9-13-21(17-20)26-22(18(3)24)16-19-10-7-6-8-11-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-13,17,22H,4-5,14-16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

RFVGMKUHOCHMJM-UHFFFAOYSA-N

Smiles

c1(O[C@@H](Cc2ccccc2)C(C)=O)cc(ccc1)OCC[NH+](CC)CC.C(CC(O)=O)(CC(O)=O)(C(=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 92mg/kg (92mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.
rat LD50 intravenous 11700ug/kg (11.7mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.