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Substance Name: 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester
RN: 72766-02-0
InChIKey: HUIXFVSBBMWVRZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N-O4

Molecular Weight

  • 235.2377
 
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Names and Synonyms

Synonyms

  • BRN 1122443
  • Methyl 2,3,4,5-tetrahydro-5-oxo-1,4-benzoxazepine-7-acetate

Systematic Name

  • 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 72766-02-0

System Generated Number

  • 0072766020

Structure Descriptors

InChI

1S/C12H13NO4/c1-16-11(14)7-8-2-3-10-9(6-8)12(15)13-4-5-17-10/h2-3,6H,4-5,7H2,1H3,(H,13,15)

InChIKey

HUIXFVSBBMWVRZ-UHFFFAOYSA-N

Smiles

COC(=O)Cc1ccc2c(c1)C(=O)NCCO2

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. 17, Pg. 155, 1979.