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Substance Name: 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-(1H-indol-4-ylmethyl)phenoxy)-, monobenzoate (salt)
RN: 133994-45-3
InChIKey: BKMPJYLCGSZVJO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O2.C7-H6-O2

Molecular Weight

  • 474.5976
 
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Names and Synonyms

Synonym

  • 1-((1,1-Dimethylethyl)amino)-3-(2-((1H-indol-4-yl)methyl)phenoxy)-2-propanol benzoate

Systematic Name

  • 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-(1H-indol-4-ylmethyl)phenoxy)-, monobenzoate (salt)

Registry Numbers

CAS Registry Number

  • 133994-45-3

System Generated Number

  • 0133994453

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O2.C7-H6-O2

Molecular Formula Fragments

  • C22-H28-N2-O2
  • C7-H6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28N2O2.C7H6O2/c1-22(2,3)24-14-18(25)15-26-21-10-5-4-7-17(21)13-16-8-6-9-20-19(16)11-12-23-20;8-7(9)6-4-2-1-3-5-6/h4-12,18,23-25H,13-15H2,1-3H3;1-5H,(H,8,9)

InChIKey

BKMPJYLCGSZVJO-UHFFFAOYSA-N

Smiles

CC(C)(C)NCC(COc1ccccc1Cc2cccc3c2cc[nH]3)O.c1ccc(cc1)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,