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Substance Name: Propanoic acid, 2-(4-chlorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
RN: 54504-75-5
InChIKey: DJYSFEOIXLHCFO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-Cl-N4-O5

Molecular Weight

  • 406.8241
 
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Names and Synonyms

Synonyms

  • BRN 1232943
  • ML 1028

Systematic Name

  • Propanoic acid, 2-(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

  • 54504-75-5

System Generated Number

  • 0054504755

Structure Descriptors

InChI

1S/C18H19ClN4O5/c1-11(28-13-6-4-12(19)5-7-13)17(25)27-9-8-23-10-20-15-14(23)16(24)22(3)18(26)21(15)2/h4-7,10-11H,8-9H2,1-3H3

InChIKey

DJYSFEOIXLHCFO-UHFFFAOYSA-N

Smiles

CC(C(=O)OCCn1cnc2c1c(=O)n(c(=O)n2C)C)Oc3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1540mg/kg (1540mg/kg)   United States Patent Document. Vol. #3984413,