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Substance Name: 2,6-Cresotic acid, 3-(1,2-dimethylpropyl)-
RN: 20717-17-3
InChIKey: PGRPMFNLCROCLI-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-(2-(3-methylbutyl))salicylic acid
  • 3-(1,2-Dimethylpropyl)-2,6-cresotic acid
  • BRN 2840233

Systematic Name

  • 2,6-Cresotic acid, 3-(1,2-dimethylpropyl)-

Registry Numbers

CAS Registry Number

  • 20717-17-3

System Generated Number

  • 0020717173

Structure Descriptors

InChI

1S/C13H18O3/c1-7(2)9(4)10-6-5-8(3)11(12(10)14)13(15)16/h5-7,9,14H,1-4H3,(H,15,16)

InChIKey

PGRPMFNLCROCLI-UHFFFAOYSA-N

Smiles

c1(c(c(c(C)cc1)C(O)=O)O)[C@@H](C(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 316mg/kg (316mg/kg)   Journal of Pharmaceutical Sciences. Vol. 57, Pg. 989, 1968.