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Substance Name: Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(1-pyrrolidinyl)ethyl)-2-trifluoromethyl-, hydrochloride
RN: 54969-17-4
InChIKey: MYVSZNKBKHPROP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-F3-N2-S.Cl-H

Molecular Weight

  • 420.9682
 
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Names and Synonyms

  • Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(1-pyrrolidinyl)ethyl)-2-trifluoromethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 54969-17-4

System Generated Number

  • 0054969174

Molecular Formulas

Molecular Formula

  • C20-H27-F3-N2-S.Cl-H

Molecular Formula Fragments

  • C20-H27-F3-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H27F3N2S.ClH/c21-20(22,23)15-8-9-19-17(14-15)25(13-12-24-10-4-5-11-24)16-6-2-1-3-7-18(16)26-19;/h8-9,14,16,18H,1-7,10-13H2;1H

InChIKey

MYVSZNKBKHPROP-UHFFFAOYSA-N

Smiles

c1cc2c(cc1C(F)(F)F)N(C3CCCCCC3S2)CCN4CCCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 119mg/kg (119mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 513, 1974.