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Substance Name: 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-alpha-ethyl-5-oxo-, methyl ester
RN: 72766-05-3
InChIKey: LJEMVHZWOBIZSD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N-O4

Molecular Weight

  • 263.2913
 
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Names and Synonyms

Synonyms

  • BRN 1130019
  • Methyl 2,3,4,5-tetrahydro-alpha-ethyl-5-oxo-1,4-benzoxazepine-7-acetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72766-05-3

System Generated Number

  • 0072766053

Structure Descriptors

InChI

1S/C14H17NO4/c1-3-10(14(17)18-2)9-4-5-12-11(8-9)13(16)15-6-7-19-12/h4-5,8,10H,3,6-7H2,1-2H3,(H,15,16)

InChIKey

LJEMVHZWOBIZSD-UHFFFAOYSA-N

Smiles

CCC(c1ccc2c(c1)C(=O)NCCO2)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. 17, Pg. 155, 1979.