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Substance Name: 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)propoxy)phenyl)-, monobenzoate (salt)
RN: 133994-49-7
InChIKey: WURKBHRVJGWPQO-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

  • alpha-(2-(3-((1,1-Dimethylethyl)amino)propoxy)phenyl)-1H-indol-4-methanol benzoate

Systematic Name

  • 1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)propoxy)phenyl)-, monobenzoate (salt)

Registry Numbers

CAS Registry Number

  • 133994-49-7

System Generated Number

  • 0133994497

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

InChIKey

WURKBHRVJGWPQO-UHFFFAOYSA-N

Smiles

CC(C)(C)NCCCOc1ccccc1C(c2cccc3c2cc[nH]3)O.c1ccc(cc1)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. #5086070,