Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Propanone, 1-(3-((heptyloxy)methyl)-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (E)-2-butenedioate (2:1) (salt)
RN: 106909-63-1
InChIKey: IMMYQTWWOPRFRP-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H78-N2-O8.C4-H4-O4

Molecular Weight

  • 903.1998
 
* 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-(Heptyloxymethyl)-4-((2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanone maleate (2:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 106909-63-1

System Generated Number

  • 0106909631

Molecular Formulas

Molecular Formula

  • C46-H78-N2-O8.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C46-H78-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/2C23H39NO4.C4H4O4/c2*1-5-7-8-9-10-13-27-16-20-14-19(22(26)6-2)11-12-23(20)28-17-21(25)15-24-18(3)4;5-3(6)1-2-4(7)8/h2*11-12,14,18,21,24-25H,5-10,13,15-17H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

IMMYQTWWOPRFRP-WXXKFALUSA-N

Smiles

CCCCCCCOCc1cc(ccc1OCC(CNC(C)C)O)C(=O)CC.CCCCCCCOCc1cc(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.