Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Propanone, 1-(3-(ethoxymethyl)-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (E)-2-butenedioate (2:1) (salt)
RN: 106909-34-6
InChIKey: QRQUTPSAKNKBTE-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H58-N2-O8.C4-H4-O4

Molecular Weight

  • 762.9318
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 106909-34-6

System Generated Number

  • 0106909346

Molecular Formulas

Molecular Formula

  • C36-H58-N2-O8.C4-H4-O4

Molecular Formula Fragments

  • C36-H58-N2-O8
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H29NO4.C4H4O4/c2*1-5-17(21)14-7-8-18(15(9-14)11-22-6-2)23-12-16(20)10-19-13(3)4;5-3(6)1-2-4(7)8/h2*7-9,13,16,19-20H,5-6,10-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

QRQUTPSAKNKBTE-WXXKFALUSA-N

Smiles

CCC(=O)c1ccc(c(c1)COCC)OCC(CNC(C)C)O.CCC(=O)c1ccc(c(c1)COCC)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)   Pharmazie. Vol. 45, Pg. 142, 1990.