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Substance Name: 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride
RN: 52995-65-0
InChIKey: ZVURRMYWEWSKFT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H17-Br-Cl2-N5-O3.Cl

Molecular Weight

  • 573.6603
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 52995-65-0

System Generated Number

  • 0052995650

Molecular Formulas

Molecular Formula

  • C21-H17-Br-Cl2-N5-O3.Cl

Molecular Formula Fragments

  • C21-H17-Br-Cl2-N5-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H16BrCl2N5O3.ClH/c1-12-27(9-8-22)18(29(31)32)11-28(12)20-21(30)25-17-7-6-13(23)10-15(17)19(26-20)14-4-2-3-5-16(14)24;/h2-7,10-11,20H,8-9H2,1H3;1H

InChIKey

ZVURRMYWEWSKFT-UHFFFAOYSA-N

Smiles

Cc1n(cc([n+]1CCBr)[N+](=O)[O-])C2C(=O)Nc3ccc(cc3C(=N2)c4ccccc4Cl)Cl.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 2600ug/kg (2.6mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 766, 1974.