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Substance Name: Acetic acid, bis(4-chlorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
RN: 54504-73-3
InChIKey: YPCUCNGLKBAUBG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H20-Cl2-N4-O6

Molecular Weight

  • 519.339
 
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Names and Synonyms

Synonyms

  • 1-(7-Theophyllinyl)-2-ethyl bis(p-chlorophenoxy)acetate
  • BRN 1235178

Systematic Name

  • Acetic acid, bis(4-chlorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester

Registry Numbers

CAS Registry Number

  • 54504-73-3

System Generated Number

  • 0054504733

Structure Descriptors

InChI

1S/C23H20Cl2N4O6/c1-27-19-18(20(30)28(2)23(27)32)29(13-26-19)11-12-33-21(31)22(34-16-7-3-14(24)4-8-16)35-17-9-5-15(25)6-10-17/h3-10,13,22H,11-12H2,1-2H3

InChIKey

YPCUCNGLKBAUBG-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCOC(=O)C(Oc3ccc(cc3)Cl)Oc4ccc(cc4)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1910mg/kg (1910mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 1686, 1975.