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Substance Name: 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride
RN: 52995-63-8
InChIKey: SENABOSQQCFLOG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H20-Br-Cl-N5-O3.Cl

Molecular Weight

  • 553.242
 
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Names and Synonyms

  • 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride

Registry Numbers

CAS Registry Number

  • 52995-63-8

System Generated Number

  • 0052995638

Molecular Formulas

Molecular Formula

  • C22-H20-Br-Cl-N5-O3.Cl

Molecular Formula Fragments

  • C22-H20-Br-Cl-N5-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C22H20BrClN5O3.ClH/c1-14-27(11-10-23)19(29(31)32)13-28(14)21-22(30)26(2)18-9-8-16(24)12-17(18)20(25-21)15-6-4-3-5-7-15;/h3-9,12-13,21H,10-11H2,1-2H3;1H/q+1;/p-1

InChIKey

SENABOSQQCFLOG-UHFFFAOYSA-M

Smiles

Cc1n(cc([n+]1CCBr)[N+](=O)[O-])C2C(=O)N(c3ccc(cc3C(=N2)c4ccccc4)Cl)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 1760ug/kg (1.76mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 766, 1974.