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Substance Name: Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1)
RN: 28740-72-9
InChIKey: UEXKESFFJVUKEE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H20-N4.Cl-H-O4

Molecular Weight

  • 440.8849
 
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Names and Synonyms

Synonyms

  • 3,4-Dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepine perchlorate (2:1)
  • 4,5-Dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepine hemiperchlorate

Systematic Name

  • Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 3,4-dihydro-, perchlorate (2:1)

Registry Numbers

CAS Registry Number

  • 28740-72-9

System Generated Number

  • 0028740729

Molecular Formulas

Molecular Formula

  • C22-H20-N4.Cl-H-O4

Molecular Formula Fragments

  • C22-H20-N4
  • Cl-H-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C11H10N2.ClHO4/c2*1-2-9-4-6-13-7-5-12-8-10(3-1)11(9)13;2-1(3,4)5/h2*1-4,6,8H,5,7H2;(H,2,3,4,5)

InChIKey

UEXKESFFJVUKEE-UHFFFAOYSA-N

Smiles

OCl(=O)(=O)=O.C1Cn2ccc3cccc(C=N1)c23.C4Cn5ccc6cccc(C=N4)c56

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.