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Substance Name: 2-Orthofuroic acid, 5-bromo-, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol
RN: 97720-49-5
InChIKey: JEQSXDOYUWCFDZ-UHFFFAOYSA-N

Molecular Formula

  • C12-H15-Br-O4

Molecular Weight

  • 303.151
 
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Names and Synonyms

Synonyms

  • 1-(5-Bromo-2-furyl)-4-propylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(5-bromo-2-furanyl)-4-propyl-
  • 5-Bromo-2-orthofuroic acid cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol

Systematic Name

  • 2-Orthofuroic acid, 5-bromo-, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 97720-49-5

System Generated Number

  • 0097720495

Structure Descriptors

InChI

1S/C12H15BrO4/c1-2-5-11-6-14-12(15-7-11,16-8-11)9-3-4-10(13)17-9/h3-4H,2,5-8H2,1H3

InChIKey

JEQSXDOYUWCFDZ-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)CCC)c1oc(cc1)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7600ug/kg (7.6mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.