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Substance Name: 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate)
RN: 25648-74-2
InChIKey: CCXTXXIACARUTI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H34-N2-O6

Molecular Weight

  • 458.552
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-1,3-propanediol bis(p-ethoxycarbanilate)
  • 4-13-00-01153 (Beilstein Handbook Reference)
  • BRN 3496050

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate)

Registry Numbers

CAS Registry Number

  • 25648-74-2

System Generated Number

  • 0025648742

Structure Descriptors

InChI

1S/C25H34N2O6/c1-5-16-25(4,17-32-23(28)26-19-8-12-21(13-9-19)30-6-2)18-33-24(29)27-20-10-14-22(15-11-20)31-7-3/h8-15H,5-7,16-18H2,1-4H3,(H,26,28)(H,27,29)

InChIKey

CCXTXXIACARUTI-UHFFFAOYSA-N

Smiles

c1cc(ccc1OCC)NC(=O)OCC(CCC)(COC(=O)Nc1ccc(cc1)OCC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1710mg/kg (1710mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.