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Substance Name: Ammonium, dimethylethyl(2-(2-(p-hydroxyphenoxy)acetamido)ethyl)-, iodide, dimethylcarbamate
RN: 97051-52-0
InChIKey: ISRLEJSXNUWQAS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-N3-O4.I

Molecular Weight

  • 465.3252
 
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Names and Synonyms

Synonym

  • Dimethylethyl(2-(2-(p-hydroxyphenoxy)acetamido)ethyl)ammonium iodide dimethylcarbamate

Systematic Name

  • Ammonium, dimethylethyl(2-(2-(p-hydroxyphenoxy)acetamido)ethyl)-, iodide, dimethylcarbamate

Registry Numbers

CAS Registry Number

  • 97051-52-0

System Generated Number

  • 0097051520

Molecular Formulas

Molecular Formula

  • C17-H28-N3-O4.I

Molecular Formula Fragments

  • C17-H28-N3-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H27N3O4.HI/c1-17(2,3)19-11-10-18-15(21)12-23-13-6-8-14(9-7-13)24-16(22)20(4)5;/h6-9,19H,10-12H2,1-5H3,(H,18,21);1H

InChIKey

ISRLEJSXNUWQAS-UHFFFAOYSA-N

Smiles

CC(C)(C)[NH2+]CCNC(=O)COc1ccc(cc1)OC(=O)N(C)C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 37, 1985.