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Substance Name: 7H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 9,10-dihydro-6-(p-bromophenyl)-3-chloro-12,13-dimethoxy-, bromide
RN: 82808-82-0
InChIKey: PBJLPNSUMIXPGV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H21-Br-Cl-N2-O2.Br

Molecular Weight

  • 576.7139
 
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Names and Synonyms

  • 7H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 9,10-dihydro-6-(p-bromophenyl)-3-chloro-12,13-dimethoxy-, bromide

Registry Numbers

CAS Registry Number

  • 82808-82-0

System Generated Number

  • 0082808820

Molecular Formulas

Molecular Formula

  • C25-H21-Br-Cl-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C25-H21-Br-Cl-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C25H21BrClN2O2.BrH/c1-30-23-11-16-9-10-29-14-22(15-3-5-17(26)6-4-15)28-21-12-18(27)7-8-19(21)25(29)20(16)13-24(23)31-2;/h3-8,11-13H,9-10,14H2,1-2H3;1H/q+1;/p-1

InChIKey

PBJLPNSUMIXPGV-UHFFFAOYSA-M

Smiles

COc1cc2c(cc1OC)C3=[N+](CC2)CC(=Nc4c3ccc(c4)Cl)c5ccc(cc5)Br.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg)   Farmaco, Edizione Scientifica. Vol. 37, Pg. 555, 1982.