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Substance Name: Benzeneacetic acid, 4-((4-chlorobenzoyl)(7-nitro-2H-1,4-benzoxazin-3-yl)amino)-alpha-methyl-,methyl ester
RN: 109227-07-8
InChIKey: ZEKQABGRKFLIEH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H20-Cl-N3-O6

Molecular Weight

  • 493.901
 
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Names and Synonyms

Synonyms

  • BRN 6024772
  • Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate

Systematic Name

  • Benzeneacetic acid, 4-((4-chlorobenzoyl)(7-nitro-2H-1,4-benzoxazin-3-yl)amino)-alpha-methyl-,methyl ester

Registry Numbers

CAS Registry Number

  • 109227-07-8

System Generated Number

  • 0109227078

Structure Descriptors

InChI

1S/C25H20ClN3O6/c1-15(25(31)34-2)16-5-9-19(10-6-16)28(24(30)17-3-7-18(26)8-4-17)23-14-35-22-13-20(29(32)33)11-12-21(22)27-23/h3-13,15H,14H2,1-2H3

InChIKey

ZEKQABGRKFLIEH-UHFFFAOYSA-N

Smiles

CC(c1ccc(cc1)N(C2=Nc3ccc(cc3OC2)[N+](=O)[O-])C(=O)c4ccc(cc4)Cl)C(=O)OC

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.