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Substance Name: 1,4-Benzenedicarboxylic acid, 2-((diethylamino)sulfonyl)-, diphenyl ester
RN: 59687-74-0
InChIKey: IEUPFNNHRUUIAJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H23-N-O6-S

Molecular Weight

  • 453.5127
 
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Names and Synonyms

Synonym

  • 2-((Diethylamino)sulfonyl)-1,4-benzenedicarboxylic acid diphenyl ester

Systematic Name

  • 1,4-Benzenedicarboxylic acid, 2-((diethylamino)sulfonyl)-, diphenyl ester

Registry Numbers

CAS Registry Number

  • 59687-74-0

System Generated Number

  • 0059687740

Structure Descriptors

InChI

1S/C24H23NO6S/c1-3-25(4-2)32(28,29)22-17-18(23(26)30-19-11-7-5-8-12-19)15-16-21(22)24(27)31-20-13-9-6-10-14-20/h5-17H,3-4H2,1-2H3

InChIKey

IEUPFNNHRUUIAJ-UHFFFAOYSA-N

Smiles

CCN(CC)S(=O)(=O)c1cc(ccc1C(=O)Oc2ccccc2)C(=O)Oc3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 12gm/kg (12000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.