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Substance Name: Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
RN: 14496-64-1
InChIKey: XJBUPKZHSDIISJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H41-Cl3-O9

Molecular Weight

  • 724.07
 
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Names and Synonyms

Synonym

  • BRN 1899462

Systematic Name

  • Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 14496-64-1

System Generated Number

  • 0014496641

Structure Descriptors

InChI

1S/C36H41Cl3O9/c1-8-36(21-43-30(40)33(2,3)46-27-15-9-24(37)10-16-27,22-44-31(41)34(4,5)47-28-17-11-25(38)12-18-28)23-45-32(42)35(6,7)48-29-19-13-26(39)14-20-29/h9-20H,8,21-23H2,1-7H3

InChIKey

XJBUPKZHSDIISJ-UHFFFAOYSA-N

Smiles

C(C(Oc1ccc(cc1)Cl)(C)C)(=O)OCC(COC(C(Oc1ccc(cc1)Cl)(C)C)=O)(COC(C(C)(C)Oc1ccc(cc1)Cl)=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 10gm/kg (10000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 90, Pg. 921, 1970.