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Substance Name: Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,3,4,6,7-hexahydro-9-chloro-2-phenyl-, monohydrochloride
RN: 28740-99-0
InChIKey: DAKVTZUQZJNMSD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-Cl-N2.Cl-H

Molecular Weight

  • 321.249
 
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Names and Synonyms

Synonyms

  • 1,2,3,4,6,7-Hexahydro-9-chloro-2-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride
  • 9-Chloro-1,2,4,5,6,7-hexahydro-6-phenylpyrrolo(1,2,3-ef)(1,5)benzodiazepine hydrochloride

Systematic Name

  • Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,3,4,6,7-hexahydro-9-chloro-2-phenyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 28740-99-0

System Generated Number

  • 0028740990

Molecular Formulas

Molecular Formula

  • C17-H17-Cl-N2.Cl-H

Molecular Formula Fragments

  • C17-H17-Cl-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H17ClN2.ClH/c18-14-10-13-6-8-20-9-7-15(12-4-2-1-3-5-12)19-16(11-14)17(13)20;/h1-5,10-11,15,19H,6-9H2;1H

InChIKey

DAKVTZUQZJNMSD-UHFFFAOYSA-N

Smiles

N1[C@@H](CCN2c3c1cc(cc3CC2)Cl)c1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 827, 1970.