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Substance Name: 1-Butanol, 1-((4,5-dihydro-1H-imidazol-2-yl)(1H-indol-3-ylmethyl)amino)-, monohydroiodide
RN: 77587-70-3
InChIKey: OUWDEEDCDZLHPV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N4-O.H-I

Molecular Weight

  • 414.2847
 
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Names and Synonyms

Synonyms

  • 1-((4,5-Dihydro-1H-imidazol-2-yl)(1H-indol-3-ylmethyl)amino)-1-butanol monohydroiodide
  • 3-((N-Butan-4-ol-N-imidazolin-2-ylamino)methyl)indole hydroiodide

Systematic Name

  • 1-Butanol, 1-((4,5-dihydro-1H-imidazol-2-yl)(1H-indol-3-ylmethyl)amino)-, monohydroiodide

Registry Numbers

CAS Registry Number

  • 77587-70-3

System Generated Number

  • 0077587703

Molecular Formulas

Molecular Formula

  • C16-H22-N4-O.H-I

Molecular Formula Fragments

  • C16-H22-N4-O
  • COMPONENT
  • H-I

Structure Descriptors

InChI

1S/C16H22N4O.HI/c1-2-5-15(21)20(16-17-8-9-18-16)11-12-10-19-14-7-4-3-6-13(12)14;/h3-4,6-7,10,15,19,21H,2,5,8-9,11H2,1H3,(H,17,18);1H

InChIKey

OUWDEEDCDZLHPV-UHFFFAOYSA-N

Smiles

CCCC(N(Cc1c[nH]c2c1cccc2)C3=NCCN3)O.I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Pharmazie. Vol. 35, Pg. 742, 1980.