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Substance Name: 7-Oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylic acid, 5-ethyl ester, (2-exo,3-exo,5-endo)-
RN: 127331-49-1
InChIKey: KLJMWDHCGAZVEJ-BJNUKLAGSA-N

Molecular Formula

  • C11-H14-O7

Molecular Weight

  • 258.225
 
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Names and Synonyms

Synonyms

  • 5-endo-(Ethoxycarbonyl)endothall
  • 5-Ethyl 7-oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylate (2-exo,3-exo,5-endo)-

Systematic Name

  • 7-Oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylic acid, 5-ethyl ester, (2-exo,3-exo,5-endo)-

Registry Numbers

CAS Registry Number

  • 127331-49-1

System Generated Number

  • 0127331491

Structure Descriptors

InChI

1S/C11H14O7/c1-2-17-11(16)4-3-5-6(9(12)13)7(10(14)15)8(4)18-5/h4-8H,2-3H2,1H3,(H,12,13)(H,14,15)/t4-,5+,6-,7-,8-/m0/s1

InChIKey

KLJMWDHCGAZVEJ-BJNUKLAGSA-N

Smiles

C1[C@@H]2O[C@@H]([C@H]1C(OCC)=O)[C@H](C(O)=O)[C@H]2C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 105mg/kg (105mg/kg)   Chemical Research in Toxicology. Vol. 3, Pg. 318, 1990.