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Substance Name: Acetophenone, 4'-(3-(tert-butylamino)-2-hydroxypropoxy)-3'-(methoxymethyl)-, oxalate (2:1)
RN: 104450-32-0
InChIKey: GFQBKNCWWYYXAZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N-O4.1/2C2-H2-O4

Molecular Weight

  • 708.8404
 
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Names and Synonyms

Synonyms

  • 4'-(3-(tert-Butylamino)-2-hydroxypropoxy)-3'-(methoxymethyl)acetophenone oxalate (2:1)
  • RTECS AL6930000

Systematic Name

  • Acetophenone, 4'-(3-(tert-butylamino)-2-hydroxypropoxy)-3'-(methoxymethyl)-, oxalate (2:1)

Registry Numbers

CAS Registry Number

  • 104450-32-0

System Generated Number

  • 0104450320

Molecular Formulas

Molecular Formula

  • C17-H27-N-O4.1/2C2-H2-O4

Molecular Formula Fragments

  • C17-H27-N-O4
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H27NO4.C2H2O4/c2*1-12(19)13-6-7-16(14(8-13)10-21-5)22-11-15(20)9-18-17(2,3)4;3-1(4)2(5)6/h2*6-8,15,18,20H,9-11H2,1-5H3;(H,3,4)(H,5,6)

InChIKey

GFQBKNCWWYYXAZ-UHFFFAOYSA-N

Smiles

CC(=O)c1ccc(c(c1)COC)OCC(CNC(C)(C)C)O.CC(=O)c1ccc(c(c1)COC)OCC(CNC(C)(C)C)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 2289, 1985.