Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate
RN: 89398-07-2
InChIKey: TXIGULLQJOBKIJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-N-S.Cl-H-O4

Molecular Weight

  • 333.834
 
* 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

  • 7-(Phenylmethyl)-3-thia-7-azabicyclo(3.3.1)nonane perchlorate
  • 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonane perchlorate
  • BRB-I-28 perchlorate

Systematic Name

  • 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate

Registry Numbers

CAS Registry Number

  • 89398-07-2

Related Registry Number

  • 89398-06-1 (Parent)

System Generated Number

  • 0089398072

Molecular Formulas

Molecular Formula

  • C14-H19-N-S.Cl-H-O4

Molecular Formula Fragments

  • C14-H19-N-S
  • Cl-H-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H19NS.ClHO4/c1-2-4-12(5-3-1)7-15-8-13-6-14(9-15)11-16-10-13;2-1(3,4)5/h1-5,13-14H,6-11H2;(H,2,3,4,5)

InChIKey

TXIGULLQJOBKIJ-UHFFFAOYSA-N

Smiles

C1[C@@H]2CN(Cc3ccccc3)C[C@@H](C2)CS1.Cl(=O)(=O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 128mg/kg (128mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Food and Chemical Toxicology. Vol. 38, Pg. 817, 2000.