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Substance Name: Thiocyanic acid, 1-phenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl ester
RN: 133280-19-0
InChIKey: REKPIWGNQMFMSU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H7-N5-S

Molecular Weight

  • 253.2883
 
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Names and Synonyms

Synonyms

  • 1-Phenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl thiocyanate
  • RTECS XQ9716000

Systematic Name

  • Thiocyanic acid, 1-phenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl ester

Registry Numbers

CAS Registry Number

  • 133280-19-0

System Generated Number

  • 0133280190

Structure Descriptors

InChI

1S/C12H7N5S/c13-8-18-11-7-14-12-10(16-11)6-15-17(12)9-4-2-1-3-5-9/h1-7H

InChIKey

REKPIWGNQMFMSU-UHFFFAOYSA-N

Smiles

c1ccc(cc1)n2c3c(cn2)nc(cn3)SC#N

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,