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Substance Name: 7H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 6,7,9,10-tetrahydro-2-chloro-12,13-dimethoxy-7-ethyl-6-oxo-, bromide
RN: 74099-05-1
InChIKey: UJFGIZLCPFFBGQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-Cl-N2-O3.Br

Molecular Weight

  • 465.7728
 
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Names and Synonyms

  • 7H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 6,7,9,10-tetrahydro-2-chloro-12,13-dimethoxy-7-ethyl-6-oxo-, bromide

Registry Numbers

CAS Registry Number

  • 74099-05-1

System Generated Number

  • 0074099051

Molecular Formulas

Molecular Formula

  • C21-H22-Cl-N2-O3.Br

Molecular Formula Fragments

  • Br
  • C21-H22-Cl-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21ClN2O3.BrH/c1-4-17-21(25)23-16-6-5-13(22)10-15(16)20-14-11-19(27-3)18(26-2)9-12(14)7-8-24(17)20;/h5-6,9-11,17H,4,7-8H2,1-3H3;1H

InChIKey

UJFGIZLCPFFBGQ-UHFFFAOYSA-N

Smiles

CCC1C(=O)Nc2ccc(cc2C3=[N+]1CCc4c3cc(c(c4)OC)OC)Cl.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Farmaco, Edizione Scientifica. Vol. 37, Pg. 555, 1982.