Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide
RN: 61508-20-1
InChIKey: XTBNLLFCQNDRNK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N-O-S.Br-H

Molecular Weight

  • 382.3636
 
* 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

Synonym

  • 1-Benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-1-butanone hydrobromide

Systematic Name

  • 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 61508-20-1

System Generated Number

  • 0061508201

Molecular Formulas

Molecular Formula

  • C18-H23-N-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C18-H23-N-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NOS.BrH/c20-17(9-7-13-19-11-5-1-2-6-12-19)16-14-21-18-10-4-3-8-15(16)18;/h3-4,8,10,14H,1-2,5-7,9,11-13H2;1H

InChIKey

XTBNLLFCQNDRNK-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(cs2)C(=O)CCCN3CCCCCC3.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 950mg/kg (950mg/kg)   United States Patent Document. Vol. #4249014,