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Substance Name: 2H-Indol-2-one, 1,3-dihydro-4-(3-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-3-oxopropyl)-, (E)-2-butenedioate (2:1) (salt)
RN: 109920-76-5
InChIKey: OWJOADYNJAZLJH-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C48-H60-N4-O8.C4-H4-O4

Molecular Weight

  • 937.0936
 
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Names and Synonyms

  • 2H-Indol-2-one, 1,3-dihydro-4-(3-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-3-oxopropyl)-, (E)-2-butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 109920-76-5

System Generated Number

  • 0109920765

Molecular Formulas

Molecular Formula

  • C48-H60-N4-O8.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C48-H60-N4-O8
  • COMPONENT

Structure Descriptors

InChI

1S/2C24H30N2O4.C4H4O4/c2*1-24(2,3)25-14-17(27)15-30-22-10-5-4-8-18(22)21(28)12-11-16-7-6-9-20-19(16)13-23(29)26-20;5-3(6)1-2-4(7)8/h2*4-10,17,25,27H,11-15H2,1-3H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

OWJOADYNJAZLJH-WXXKFALUSA-N

Smiles

CC(C)(C)NCC(COc1ccccc1C(=O)CCc2cccc3c2CC(=O)N3)O.CC(C)(C)NCC(COc1ccccc1C(=O)CCc2cccc3c2CC(=O)N3)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,