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Substance Name: Benzenemethanamine, 4,5-dimethoxy-N-(4-(4-(2-methylphenyl)-1-piperazinyl)phenyl)-2-nitro-
RN: 78933-09-2
InChIKey: YZYMFWBZIKZOHD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-N4-O4

Molecular Weight

  • 462.547
 
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Names and Synonyms

Synonyms

  • 4,5-Dimethoxy-N-(4-(4-(2-methylphenyl)-1-piperazinyl)phenyl)-2-nitrobenzenemethanamine
  • BRN 4606380

Systematic Name

  • Benzenemethanamine, 4,5-dimethoxy-N-(4-(4-(2-methylphenyl)-1-piperazinyl)phenyl)-2-nitro-

Registry Numbers

CAS Registry Number

  • 78933-09-2

System Generated Number

  • 0078933092

Structure Descriptors

InChI

1S/C26H30N4O4/c1-19-6-4-5-7-23(19)29-14-12-28(13-15-29)22-10-8-21(9-11-22)27-18-20-16-25(33-2)26(34-3)17-24(20)30(31)32/h4-11,16-17,27H,12-15,18H2,1-3H3

InChIKey

YZYMFWBZIKZOHD-UHFFFAOYSA-N

Smiles

Cc1ccccc1N2CCN(CC2)c3ccc(cc3)NCc4cc(c(cc4[N+](=O)[O-])OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 512, 1981.