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Substance Name: Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester
RN: 100565-78-4
InChIKey: QZEXOWVWDVPNGK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H44-N4-O4-S

Molecular Weight

  • 492.7246
 
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Names and Synonyms

Synonyms

  • 2-Methyl-3-n-hexadecyloxy-7-(ethoxycarbonylmethylthio)pyrazolo(4,3-d)pyrimidine
  • Ethyl ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)acetate

Systematic Name

  • Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 100565-78-4

System Generated Number

  • 0100565784

Structure Descriptors

InChI

1S/C26H44N4O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33-26-24-23(29-30(26)3)25(28-21-27-24)34-20-22(31)32-5-2/h21H,4-20H2,1-3H3

InChIKey

QZEXOWVWDVPNGK-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCOc1c2c(c(ncn2)SCC(=O)OCC)nn1C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 8gm/kg (8000mg/kg)   United States Patent Document. Vol. #4654348,