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Substance Name: 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-9-hydroxy-5-oxo-, methyl ester
RN: 72766-06-4
InChIKey: BYMHCSWUFSHDIP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N-O5

Molecular Weight

  • 251.2367
 
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Names and Synonyms

Synonyms

  • BRN 1128194
  • Methyl 2,3,4,5-tetrahydro-9-hydroxy-5-oxo-1,4-benzoxazepine-7-acetate

Systematic Name

  • 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-9-hydroxy-5-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 72766-06-4

System Generated Number

  • 0072766064

Structure Descriptors

InChI

1S/C12H13NO5/c1-17-10(15)6-7-4-8-11(9(14)5-7)18-3-2-13-12(8)16/h4-5,14H,2-3,6H2,1H3,(H,13,16)

InChIKey

BYMHCSWUFSHDIP-UHFFFAOYSA-N

Smiles

COC(=O)Cc1cc2c(c(c1)O)OCCNC2=O

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.