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Substance Name: Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester
RN: 109227-04-5
InChIKey: VUWDNSJQHCGLOF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H18-Cl-N3-O6

Molecular Weight

  • 479.8742
 
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Names and Synonyms

Synonyms

  • BRN 6025344
  • Methyl 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate

Systematic Name

  • Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester

Registry Numbers

CAS Registry Number

  • 109227-04-5

System Generated Number

  • 0109227045

Structure Descriptors

InChI

1S/C24H18ClN3O6/c1-33-23(29)12-15-2-8-18(9-3-15)27(24(30)16-4-6-17(25)7-5-16)22-14-34-21-11-10-19(28(31)32)13-20(21)26-22/h2-11,13H,12,14H2,1H3

InChIKey

VUWDNSJQHCGLOF-UHFFFAOYSA-N

Smiles

COC(=O)Cc1ccc(cc1)N(C2=Nc3cc(ccc3OC2)[N+](=O)[O-])C(=O)c4ccc(cc4)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 25, Pg. 986, 1986.