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Substance Name: Benzamide, N-(2-bromoethyl)-3,4,5-trimethoxy-
RN: 91802-17-4
InChIKey: ZIKOLQUACPNRLJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-Br-N-O4

Molecular Weight

  • 318.165
 
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Names and Synonyms

Synonyms

  • BRN 2701848
  • N-(2-Bromoethyl)-3,4,5-trimethoxybenzamide
  • N-(beta-Bromoethyl)-3,4,5-trimethoxybenzamide

Systematic Name

  • Benzamide, N-(2-bromoethyl)-3,4,5-trimethoxy-

Registry Numbers

CAS Registry Number

  • 91802-17-4

System Generated Number

  • 0091802174

Structure Descriptors

InChI

1S/C12H16BrNO4/c1-16-9-6-8(12(15)14-5-4-13)7-10(17-2)11(9)18-3/h6-7H,4-5H2,1-3H3,(H,14,15)

InChIKey

ZIKOLQUACPNRLJ-UHFFFAOYSA-N

Smiles

c1(c(cc(cc1OC)C(=O)NCCBr)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 319, 1964.