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Substance Name: Dodecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester
RN: 133280-17-8
InChIKey: DXGHDLQDIZUYAC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-N4-O-S

Molecular Weight

  • 360.5232
 
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Names and Synonyms

Synonym

  • S-(1-Ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) dodecanethioate

Systematic Name

  • Dodecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester

Registry Numbers

CAS Registry Number

  • 133280-17-8

System Generated Number

  • 0133280178

Structure Descriptors

InChI

1S/C19H28N4OS/c1-3-5-6-7-8-9-10-11-12-13-18(24)25-17-15-20-19-16(22-17)14-21-23(19)4-2/h4,14-15H,2-3,5-13H2,1H3

InChIKey

DXGHDLQDIZUYAC-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(=O)Sc1cnc2c(n1)cnn2C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1gm/kg (1000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #90-240084,