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Substance Name: Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-
RN: 35231-89-1
InChIKey: NCBNWFVSFAWNBE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H34-O4

Molecular Weight

  • 362.507
 
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Names and Synonyms

Synonyms

  • 3,5-Bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)benzoic acid
  • BRN 2771148

Systematic Name

  • Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-

Registry Numbers

CAS Registry Number

  • 35231-89-1

System Generated Number

  • 0035231891

Structure Descriptors

InChI

1S/C22H34O4/c1-13(2)15-10-16(14(3)4)18(17(11-15)19(23)24)26-20(25)22(8,9)12-21(5,6)7/h10-11,13-14H,12H2,1-9H3,(H,23,24)

InChIKey

NCBNWFVSFAWNBE-UHFFFAOYSA-N

Smiles

C(c1c(c(cc(c1)C(C)C)C(C)C)OC(C(CC(C)(C)C)(C)C)=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral > 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 403, 1971.