Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-(3-(1H-indol-4-yl)propyl)phenoxy)-, (E)-2-butenedioate (2:1) (salt)
RN: 109920-83-4
InChIKey: SFQDJCLMNVHUCB-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C48-H64-N4-O4.C4-H4-O4

Molecular Weight

  • 877.1292
 
* 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-(1,1-Dimethylethylamino)-3-(2-(3-(1H-indol-4-yl)propyl)phenoxy)-2-propanol fumarate

Systematic Name

  • 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-(3-(1H-indol-4-yl)propyl)phenoxy)-, (E)-2-butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 109920-83-4

System Generated Number

  • 0109920834

Molecular Formulas

Molecular Formula

  • C48-H64-N4-O4.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C48-H64-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C24H32N2O2.C4H4O4/c2*1-24(2,3)26-16-20(27)17-28-23-13-5-4-8-19(23)11-6-9-18-10-7-12-22-21(18)14-15-25-22;5-3(6)1-2-4(7)8/h2*4-5,7-8,10,12-15,20,25-27H,6,9,11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

SFQDJCLMNVHUCB-WXXKFALUSA-N

Smiles

CC(C)(C)NCC(COc1ccccc1CCCc2cccc3c2cc[nH]3)O.CC(C)(C)NCC(COc1ccccc1CCCc2cccc3c2cc[nH]3)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4808609,