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Substance Name: Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 9-chloro-1,2,3,4,6,7-hexahydro-
RN: 28740-92-3
InChIKey: XDVBJSDEOVEXFC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-Cl-N2.Cl-H

Molecular Weight

  • 245.1516
 
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Names and Synonyms

Synonyms

  • 9-Chloro-1,2,3,4,6,7-hexahydropyrrolo(3,2,1-jk)(1,4)benzodiazepine
  • Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,7-hexahydro-9-chloro-

Systematic Name

  • Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 9-chloro-1,2,3,4,6,7-hexahydro-

Registry Numbers

CAS Registry Number

  • 28740-92-3

System Generated Number

  • 0028740923

Molecular Formulas

Molecular Formula

  • C11-H13-Cl-N2.Cl-H

Molecular Formula Fragments

  • C11-H13-Cl-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H13ClN2.ClH/c12-10-5-8-1-3-14-4-2-13-7-9(6-10)11(8)14;/h5-6,13H,1-4,7H2;1H

InChIKey

XDVBJSDEOVEXFC-UHFFFAOYSA-N

Smiles

Cl.Clc1cc2CCN3CCNCc(c1)c23

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 178mg/kg (178mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 827, 1970.