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Substance Name: Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, neopentanetetrayl ester
RN: 14496-73-2
InChIKey: NEJADYBPPRUFBE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H48-Cl4-O12

Molecular Weight

  • 922.674
 
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Names and Synonyms

Synonyms

  • 2-(p-Chlorophenoxy)-2-methylpropionic acid neopentanetetrayl ester
  • BRN 1899866

Systematic Name

  • Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, neopentanetetrayl ester

Registry Numbers

CAS Registry Number

  • 14496-73-2

System Generated Number

  • 0014496732

Structure Descriptors

InChI

1S/C45H48Cl4O12/c1-41(2,58-33-17-9-29(46)10-18-33)37(50)54-25-45(26-55-38(51)42(3,4)59-34-19-11-30(47)12-20-34,27-56-39(52)43(5,6)60-35-21-13-31(48)14-22-35)28-57-40(53)44(7,8)61-36-23-15-32(49)16-24-36/h9-24H,25-28H2,1-8H3

InChIKey

NEJADYBPPRUFBE-UHFFFAOYSA-N

Smiles

C(C(COC(C(C)(C)Oc1ccc(cc1)Cl)=O)(COC(C(C)(C)Oc1ccc(cc1)Cl)=O)COC(C(C)(C)Oc1ccc(cc1)Cl)=O)OC(C(C)(C)Oc1ccc(cc1)Cl)=O

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.