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Substance Name: Cycloheptaneorthocarboxylic acid, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
RN: 97720-39-3
InChIKey: NOUCUYRVVFUIOG-UHFFFAOYSA-N

Molecular Formula

  • C16-H28-O3

Molecular Weight

  • 268.394
 
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Names and Synonyms

Synonyms

  • 1-Cycloheptyl-4-tert-butylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-cycloheptyl-4-(1,1-dimethylethyl)-

Systematic Name

  • Cycloheptaneorthocarboxylic acid, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 97720-39-3

System Generated Number

  • 0097720393

Structure Descriptors

InChI

1S/C16H28O3/c1-14(2,3)15-10-17-16(18-11-15,19-12-15)13-8-6-4-5-7-9-13/h13H,4-12H2,1-3H3

InChIKey

NOUCUYRVVFUIOG-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)(C)C)C1CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 92mg/kg (92mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.