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Substance Name: Acetophenone, 2'-(ethoxymethyl)-4'-(2-hydroxy-3-(isopropylamino)propoxy)-, fumarate (2:1)
RN: 104450-33-1
InChIKey: GDEATITWUQUWFK-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N-O4.1/2C4-H4-O4

Molecular Weight

  • 734.8782
 
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Names and Synonyms

Synonym

  • 2'-(Ethoxymethyl)-4'-(2-hydroxy-3-(isopropylamino)propoxy)acetophenone fumarate (2:1)

Systematic Name

  • Acetophenone, 2'-(ethoxymethyl)-4'-(2-hydroxy-3-(isopropylamino)propoxy)-, fumarate (2:1)

Registry Numbers

CAS Registry Number

  • 104450-33-1

System Generated Number

  • 0104450331

Molecular Formulas

Molecular Formula

  • C17-H27-N-O4.1/2C4-H4-O4

Molecular Formula Fragments

  • C17-H27-N-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H27NO4.C4H4O4/c2*1-5-21-10-14-8-16(6-7-17(14)13(4)19)22-11-15(20)9-18-12(2)3;5-3(6)1-2-4(7)8/h2*6-8,12,15,18,20H,5,9-11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

GDEATITWUQUWFK-WXXKFALUSA-N

Smiles

CCOCc1cc(ccc1C(=O)C)OCC(CNC(C)C)O.CCOCc1cc(ccc1C(=O)C)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 300mg/kg (300mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 2289, 1985.