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Substance Name: Acetic acid, 2,2'-(2-hydroxytrimethylenebis(oxy(2-acetyl-m-phenylene)oxy))di-, diethyl ester
RN: 112489-28-8
InChIKey: YNUYHAQQEQKBKI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H32-O11

Molecular Weight

  • 532.5388
 
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Names and Synonyms

Synonyms

  • 1,3-Bis(2-acetyl-3-carbethoxymethoxyphenoxy)-2-propanol
  • 2,2'-(2-Hydroxytrimethylenebis(oxy(2-acetyl-m-phenylene)oxy))diacetic acid diethyl ester
  • BRN 5685185

Systematic Name

  • Acetic acid, 2,2'-(2-hydroxytrimethylenebis(oxy(2-acetyl-m-phenylene)oxy))di-, diethyl ester

Registry Numbers

CAS Registry Number

  • 112489-28-8

System Generated Number

  • 0112489288

Structure Descriptors

InChI

1S/C27H32O11/c1-5-33-24(31)15-37-22-11-7-9-20(26(22)17(3)28)35-13-19(30)14-36-21-10-8-12-23(27(21)18(4)29)38-16-25(32)34-6-2/h7-12,19,30H,5-6,13-16H2,1-4H3

InChIKey

YNUYHAQQEQKBKI-UHFFFAOYSA-N

Smiles

CCOC(=O)COc1cccc(c1C(=O)C)OCC(COc2cccc(c2C(=O)C)OCC(=O)OCC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 825mg/kg (825mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 153, 1987.