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Substance Name: 1,2-Propanediol, 3-(6-isopropyl-m-tolyloxy)-
RN: 64049-39-4
InChIKey: XIHHEYPANRXLFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-O3

Molecular Weight

  • 224.298
 
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Names and Synonyms

Synonyms

  • 3-(6-Isopropyl-m-tolyloxy)-1,2-propanediol
  • 4-06-00-03337 (Beilstein Handbook Reference)
  • BRN 3268659

Systematic Name

  • 1,2-Propanediol, 3-(6-isopropyl-m-tolyloxy)-

Registry Numbers

CAS Registry Number

  • 64049-39-4

System Generated Number

  • 0064049394

Structure Descriptors

InChI

1S/C13H20O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h4-6,9,11,14-15H,7-8H2,1-3H3

InChIKey

XIHHEYPANRXLFS-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)C)C(C)C)OC[C@@H](O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2352mg/kg (2352mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: MUSCLE WEAKNESS
Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 470, 1948.