Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2H-Indol-2-one, 1,3-dihydro-4-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)benzo)-, (E)-2-butenedioate (2:1) (salt)
RN: 133994-65-7
InChIKey: GBQOTYSSZVUPPY-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H52-N4-O8.C4-H4-O4

Molecular Weight

  • 880.9864
 
* 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-Dihydro-4-(2-(3-(t-butylamino)-2-hydroxypropoxy)benzoyl)-2H-indol-2-one fumarate (2:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 133994-65-7

System Generated Number

  • 0133994657

Molecular Formulas

Molecular Formula

  • C44-H52-N4-O8.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C44-H52-N4-O8
  • COMPONENT

Structure Descriptors

InChI

1S/2C22H26N2O4.C4H4O4/c2*1-22(2,3)23-12-14(25)13-28-19-10-5-4-7-16(19)21(27)15-8-6-9-18-17(15)11-20(26)24-18;5-3(6)1-2-4(7)8/h2*4-10,14,23,25H,11-13H2,1-3H3,(H,24,26);1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

GBQOTYSSZVUPPY-WXXKFALUSA-N

Smiles

CC(C)(C)NCC(COc1ccccc1C(=O)c2cccc3c2CC(=O)N3)O.CC(C)(C)NCC(COc1ccccc1C(=O)c2cccc3c2CC(=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 > 200mg/kg (200mg/kg)   United States Patent Document. Vol. #5086070,