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Substance Name: 2,6-Cresotic acid, 3-tert-pentyl-
RN: 20717-19-5
InChIKey: GTCQVVDGRZVROE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-O3

Molecular Weight

  • 222.282
 
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Names and Synonyms

Synonyms

  • 2-Methyl-5-tert-amylsalicylic acid
  • 3-tert-Pentyl-2,6-cresotic acid
  • BRN 2845570

Systematic Name

  • 2,6-Cresotic acid, 3-tert-pentyl-

Registry Numbers

CAS Registry Number

  • 20717-19-5

System Generated Number

  • 0020717195

Structure Descriptors

InChI

1S/C13H18O3/c1-5-13(3,4)9-7-6-8(2)10(11(9)14)12(15)16/h6-7,14H,5H2,1-4H3,(H,15,16)

InChIKey

GTCQVVDGRZVROE-UHFFFAOYSA-N

Smiles

c1(c(c(c(C)cc1)C(O)=O)O)C(CC)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 100mg/kg (100mg/kg)   Journal of Pharmaceutical Sciences. Vol. 57, Pg. 989, 1968.