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Substance Name: 1,3-Propanediol, 2-hydroxymethyl-2-(m-tolyloxymethyl)-
RN: 64049-36-1
InChIKey: NNWSPTNNCFFSLD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-O4

Molecular Weight

  • 226.27
 
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Names and Synonyms

Synonyms

  • 2-Hydroxymethyl-2-(m-tolyloxymethyl)-1,3-propanediol
  • 4-06-00-02044 (Beilstein Handbook Reference)
  • BRN 3265820

Systematic Name

  • 1,3-Propanediol, 2-hydroxymethyl-2-(m-tolyloxymethyl)-

Registry Numbers

CAS Registry Number

  • 64049-36-1

System Generated Number

  • 0064049361

Structure Descriptors

InChI

1S/C12H18O4/c1-10-3-2-4-11(5-10)16-9-12(6-13,7-14)8-15/h2-5,13-15H,6-9H2,1H3

InChIKey

NNWSPTNNCFFSLD-UHFFFAOYSA-N

Smiles

C(COc1cc(C)ccc1)(CO)(CO)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 280mg/kg (280mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 248, Pg. 3642, 1959.