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Substance Name: Acetic acid, (4-fluorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
RN: 54504-79-9
InChIKey: QDKQDHTVYWEOGM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-F-N4-O5

Molecular Weight

  • 376.3423
 
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Names and Synonyms

Synonyms

  • BRN 1232725
  • ML 1033

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 54504-79-9

System Generated Number

  • 0054504799

Structure Descriptors

InChI

1S/C17H17FN4O5/c1-20-15-14(16(24)21(2)17(20)25)22(10-19-15)7-8-26-13(23)9-27-12-5-3-11(18)4-6-12/h3-6,10H,7-9H2,1-2H3

InChIKey

QDKQDHTVYWEOGM-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCOC(=O)COc3ccc(cc3)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1680mg/kg (1680mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 1686, 1975.