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Substance Name: Orthobenzoic acid, p-chloro-, cyclic ester with 2-cyclopentyl-2-(hydroxymethyl)-1,3-propanediol
RN: 97719-94-3
InChIKey: WGCBPIAYXGNYHZ-UHFFFAOYSA-N

Molecular Formula

  • C16-H19-Cl-O3

Molecular Weight

  • 294.776
 
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Names and Synonyms

Synonyms

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-chlorophenyl)-4-cyclopentyl-
  • 4-Cyclopentyl-1-(4-chlorophenyl)bicycloorthocarboxylate
  • p-Chloroorthobenzoic acid cyclic ester with 2-cyclopentyl-2-(hydroxymethyl)-1,3-propanediol

Systematic Name

  • Orthobenzoic acid, p-chloro-, cyclic ester with 2-cyclopentyl-2-(hydroxymethyl)-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 97719-94-3

System Generated Number

  • 0097719943

Structure Descriptors

InChI

1S/C16H19ClO3/c17-14-7-5-13(6-8-14)16-18-9-15(10-19-16,11-20-16)12-3-1-2-4-12/h5-8,12H,1-4,9-11H2

InChIKey

WGCBPIAYXGNYHZ-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C1CCCC1)c1ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6100ug/kg (6.1mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.