Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 8-(p-tert-butylbenzyl)-3-alpha-hydroxy-, bromide, (+-)-tropate
RN: 101636-42-4
InChIKey: HEEFDDJPKRZTPO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H38-N-O3.Br

Molecular Weight

  • 516.5162
 
* 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

Synonyms

  • 8-(p-tert-Butylbenzyl)atropinium bromide
  • Atropinium, 8-(p-tert-butylbenzyl)-, bromide
  • N-680

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropanium, 8-(p-tert-butylbenzyl)-3-alpha-hydroxy-, bromide, (+-)-tropate

Registry Numbers

CAS Registry Number

  • 101636-42-4

System Generated Number

  • 0101636424

Molecular Formulas

Molecular Formula

  • C28-H38-N-O3.Br

Molecular Formula Fragments

  • Br
  • C28-H38-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H38NO3.BrH/c1-28(2,3)22-12-10-20(11-13-22)18-29(4)23-14-15-24(29)17-25(16-23)32-27(31)26(19-30)21-8-6-5-7-9-21;/h5-13,23-26,30H,14-19H2,1-4H3;1H/q+1;/p-1

InChIKey

HEEFDDJPKRZTPO-UHFFFAOYSA-M

Smiles

CC(C)(C)c1ccc(cc1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)c4ccccc4)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 72mg/kg (72mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.