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Substance Name: Acetic acid, ((2-methyl-3-(9,12-octadecadienyloxy)-2H-pyrazolo(4,3-d)pyrimidin-7-yl)thio)-, ethyl ester
RN: 100565-90-0
InChIKey: AQRAFDBBIILVJM-OKLKQMLOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H44-N4-O3-S

Molecular Weight

  • 516.7466
 
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Names and Synonyms

Synonyms

  • 2-Methyl-3-linoleyloxy-7-(ethoxycarbonylmethylthio)pyrazolo(4,3-d)pyrimidine
  • RTECS AJ7490000

Systematic Name

  • Acetic acid, ((2-methyl-3-(9,12-octadecadienyloxy)-2H-pyrazolo(4,3-d)pyrimidin-7-yl)thio)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 100565-90-0

System Generated Number

  • 0100565900

Structure Descriptors

InChI

1S/C28H44N4O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35-28-26-25(31-32(28)3)27(30-23-29-26)36-22-24(33)34-5-2/h9-10,12-13,23H,4-8,11,14-22H2,1-3H3/b10-9+,13-12+

InChIKey

AQRAFDBBIILVJM-OKLKQMLOSA-N

Smiles

CCCCC/C=C/C/C=C/CCCCCCCCOc1c2c(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,