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Substance Name: 4,7-Epoxyisobenzofuran-5-carboxylic acid, octahydro-1,3-dioxo-, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-
RN: 127311-90-4
InChIKey: GQOKHYKFPZJCCC-UKFBFLRUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-O6

Molecular Weight

  • 212.1562
 
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Names and Synonyms

Synonym

  • 5-endo-Carboxyendothall anhydride

Systematic Name

  • 4,7-Epoxyisobenzofuran-5-carboxylic acid, octahydro-1,3-dioxo-, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-

Registry Numbers

CAS Registry Number

  • 127311-90-4

System Generated Number

  • 0127311904

Structure Descriptors

InChI

1S/C9H8O6/c10-7(11)2-1-3-4-5(6(2)14-3)9(13)15-8(4)12/h2-6H,1H2,(H,10,11)/t2-,3-,4-,5-,6+/m1/s1

InChIKey

GQOKHYKFPZJCCC-UKFBFLRUSA-N

Smiles

C1[C@H]([C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)OC3=O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 36mg/kg (36mg/kg)   Chemical Research in Toxicology. Vol. 3, Pg. 318, 1990.