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Substance Name: Acetophenone, 4'-(2-hydroxy-3-(isopropylamino)propoxy)-3'-(propoxymethyl)-, tartrate (2:1)
RN: 104450-39-7
InChIKey: CMAWEBZIGMEZAA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N-O4.1/2C4-H6-O6

Molecular Weight

  • 796.9456
 
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Names and Synonyms

Synonyms

  • 4'-(2-Hydroxy-3-(isopropylamino)propoxy)-3'-(propoxymethyl)acetophenone tartrate (2:1)
  • Ethanone, 1-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-3-(propoxymethyl)phenyl)-, tartrate

Systematic Name

  • Acetophenone, 4'-(2-hydroxy-3-(isopropylamino)propoxy)-3'-(propoxymethyl)-, tartrate (2:1)

Registry Numbers

CAS Registry Number

  • 104450-39-7

System Generated Number

  • 0104450397

Molecular Formulas

Molecular Formula

  • C18-H29-N-O4.1/2C4-H6-O6

Molecular Formula Fragments

  • C18-H29-N-O4
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H29NO4.C4H6O6/c2*1-5-8-22-11-16-9-15(14(4)20)6-7-18(16)23-12-17(21)10-19-13(2)3;5-1(3(7)8)2(6)4(9)10/h2*6-7,9,13,17,19,21H,5,8,10-12H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)

InChIKey

CMAWEBZIGMEZAA-UHFFFAOYSA-N

Smiles

CCCOCc1cc(ccc1OCC(CNC(C)C)O)C(=O)C.CCCOCc1cc(ccc1OCC(CNC(C)C)O)C(=O)C.C(C(C(=O)O)O)(C(=O)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.