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Substance Name: 1-Propanone, 1-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-3-(1H-indol-4-yl)-, (E)-2-butenedioate (2:1) (salt)
RN: 109920-71-0
InChIKey: KQVIJDXLBYJION-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C48-H60-N4-O6.C4-H4-O4

Molecular Weight

  • 905.0956
 
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Names and Synonyms

Synonym

  • 1-(2-(3-(1,1-Dimethylethylamino)-2-hydroxypropoxy)phenyl)-3-(1H-indol-4-yl)-1-propanone

Systematic Name

  • 1-Propanone, 1-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-3-(1H-indol-4-yl)-, (E)-2-butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 109920-71-0

System Generated Number

  • 0109920710

Molecular Formulas

Molecular Formula

  • C48-H60-N4-O6.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C48-H60-N4-O6
  • COMPONENT

Structure Descriptors

InChI

1S/2C24H30N2O3.C4H4O4/c2*1-24(2,3)26-15-18(27)16-29-23-10-5-4-8-20(23)22(28)12-11-17-7-6-9-21-19(17)13-14-25-21;5-3(6)1-2-4(7)8/h2*4-10,13-14,18,25-27H,11-12,15-16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

KQVIJDXLBYJION-WXXKFALUSA-N

Smiles

CC(C)(C)NCC(COc1ccccc1C(=O)CCc2cccc3c2cc[nH]3)O.CC(C)(C)NCC(COc1ccccc1C(=O)CCc2cccc3c2cc[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 > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4808609,