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Substance Name: 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-
RN: 52775-80-1
InChIKey: APHOVDBTNBJYJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-Br2-O4

Molecular Weight

  • 341.982
 
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Names and Synonyms

Synonyms

  • 3-Bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-6-oxabicyclo(3.1.0)hexane-2-carboxylic acid
  • 5-18-08-00087 (Beilstein Handbook Reference)
  • BRN 1379773

Systematic Name

  • 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-

Registry Numbers

CAS Registry Number

  • 52775-80-1

System Generated Number

  • 0052775801

Structure Descriptors

InChI

1S/C9H10Br2O4/c1-7-4(5(12)13)9(11,3-10)6(14)8(7,2)15-7/h4H,3H2,1-2H3,(H,12,13)

InChIKey

APHOVDBTNBJYJW-UHFFFAOYSA-N

Smiles

CC12C(C(C(=O)C1(O2)C)(CBr)Br)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Journal of Antibiotics. Vol. 27, Pg. 400, 1974.