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Substance Name: 1-Propanone, 1-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-3-((pentyloxy)methyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
RN: 106909-51-7
InChIKey: CWAAVPIYEUXGPR-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H70-N2-O8.C4-H4-O4

Molecular Weight

  • 847.0926
 
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Names and Synonyms

Synonym

  • 1-(4-(2-Hydroxy-3-(isopropylamino)propoxy)-3-(pentyloxymethyl)phenyl)propanone maleate (2:1)

Systematic Name

  • 1-Propanone, 1-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-3-((pentyloxy)methyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 106909-51-7

System Generated Number

  • 0106909517

Molecular Formulas

Molecular Formula

  • C42-H70-N2-O8.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C42-H70-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/2C21H35NO4.C4H4O4/c2*1-5-7-8-11-25-14-18-12-17(20(24)6-2)9-10-21(18)26-15-19(23)13-22-16(3)4;5-3(6)1-2-4(7)8/h2*9-10,12,16,19,22-23H,5-8,11,13-15H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

CWAAVPIYEUXGPR-WXXKFALUSA-N

Smiles

CCCCCOCc1cc(ccc1OCC(CNC(C)C)O)C(=O)CC.CCCCCOCc1cc(ccc1OCC(CNC(C)C)O)C(=O)CC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 400mg/kg (400mg/kg)   Pharmazie. Vol. 45, Pg. 142, 1990.