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Substance Name: Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester
RN: 79874-85-4
InChIKey: BJSDZTFKAMAMKC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-N2-O8

Molecular Weight

  • 498.529
 
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Names and Synonyms

Synonyms

  • 1,4-Bis(2-(acetylsalicyloyloxy)ethyl)piperazine
  • 1,4-Piperazinediyldi-2,1-ethanediyl 2-(acetyloxy)benzoate
  • S. 1528

Systematic Name

  • Benzoic acid, 2-(acetyloxy)-, 1,4-piperazinediyldi-2,1-ethanediyl ester

Registry Numbers

CAS Registry Number

  • 79874-85-4

System Generated Number

  • 0079874854

Structure Descriptors

InChI

1S/C26H30N2O8/c1-19(29)35-23-9-5-3-7-21(23)25(31)33-17-15-27-11-13-28(14-12-27)16-18-34-26(32)22-8-4-6-10-24(22)36-20(2)30/h3-10H,11-18H2,1-2H3

InChIKey

BJSDZTFKAMAMKC-UHFFFAOYSA-N

Smiles

CC(=O)Oc1ccccc1C(=O)OCCN2CCN(CC2)CCOC(=O)c3ccccc3OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2600mg/kg (2600mg/kg)   United States Patent Document. Vol. #4420482,