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Substance Name: Propanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
RN: 57081-41-1
InChIKey: MNVKFWCPYQDOKH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H27-Cl-N4-O5

Molecular Weight

  • 510.9753
 
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Names and Synonyms

Synonyms

  • BRN 1197166
  • Sgd 231-74

Systematic Name

  • Propanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester

Registry Numbers

CAS Registry Number

  • 57081-41-1

System Generated Number

  • 0057081411

Structure Descriptors

InChI

1S/C26H27ClN4O5/c1-26(2,36-20-11-7-18(8-12-20)15-17-5-9-19(27)10-6-17)24(33)35-14-13-31-16-28-22-21(31)23(32)30(4)25(34)29(22)3/h5-12,16H,13-15H2,1-4H3

InChIKey

MNVKFWCPYQDOKH-UHFFFAOYSA-N

Smiles

CC(C)(C(=O)OCCn1cnc2c1c(=O)n(c(=O)n2C)C)Oc3ccc(cc3)Cc4ccc(cc4)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 711, 1979.