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Substance Name: Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester
RN: 133280-16-7
InChIKey: FMADEWPHXBRVLC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N4-O-S

Molecular Weight

  • 276.3624
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 133280-16-7

System Generated Number

  • 0133280167

Structure Descriptors

InChI

1S/C13H16N4OS/c1-3-5-6-7-12(18)19-11-9-14-13-10(16-11)8-15-17(13)4-2/h4,8-9H,2-3,5-7H2,1H3

InChIKey

FMADEWPHXBRVLC-UHFFFAOYSA-N

Smiles

CCCCCC(=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,