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Substance Name: Benzoic acid, 3,5-diisopropyl-2,6-dimethyl-
RN: 18354-27-3
InChIKey: CKZVJRAHZOBJTJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-O2

Molecular Weight

  • 234.337
 
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Names and Synonyms

Synonyms

  • 3,5-Diisopropyl-2,6-dimethylbenzoic acid
  • BRN 3092733

Systematic Name

  • Benzoic acid, 3,5-diisopropyl-2,6-dimethyl-

Registry Numbers

CAS Registry Number

  • 18354-27-3

System Generated Number

  • 0018354273

Structure Descriptors

InChI

1S/C15H22O2/c1-8(2)12-7-13(9(3)4)11(6)14(10(12)5)15(16)17/h7-9H,1-6H3,(H,16,17)

InChIKey

CKZVJRAHZOBJTJ-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1C)C(C)C)C(C)C)C)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 422mg/kg (422mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: REGIDITY
Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.