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Substance Name: 1-Propanone, 1-(3-((hexyloxy)methyl)-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (E)-2-butenedioate (2:1) (salt)
RN: 106909-59-5
InChIKey: HRGACWDBJWENIR-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H74-N2-O8.C4-H4-O4

Molecular Weight

  • 875.1462
 
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Names and Synonyms

Synonym

  • 1-(Hexyloxymethyl)-4-((2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanone maleate (2:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 106909-59-5

System Generated Number

  • 0106909595

Molecular Formulas

Molecular Formula

  • C44-H74-N2-O8.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C44-H74-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/2C22H37NO4.C4H4O4/c2*1-5-7-8-9-12-26-15-19-13-18(21(25)6-2)10-11-22(19)27-16-20(24)14-23-17(3)4;5-3(6)1-2-4(7)8/h2*10-11,13,17,20,23-24H,5-9,12,14-16H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

HRGACWDBJWENIR-WXXKFALUSA-N

Smiles

CCCCCCOCc1cc(ccc1OCC(CNC(C)C)O)C(=O)CC.CCCCCCOCc1cc(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 200mg/kg (200mg/kg)   Pharmazie. Vol. 45, Pg. 142, 1990.