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Substance Name: Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester
RN: 133280-20-3
InChIKey: WTGYVFDUTYYQNV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H9-N5-S

Molecular Weight

  • 267.3151
 
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Names and Synonyms

Synonym

  • 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl thiocyanate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 133280-20-3

System Generated Number

  • 0133280203

Structure Descriptors

InChI

1S/C13H9N5S/c14-9-19-12-7-15-13-11(17-12)6-16-18(13)8-10-4-2-1-3-5-10/h1-7H,8H2

InChIKey

WTGYVFDUTYYQNV-UHFFFAOYSA-N

Smiles

c1ccc(cc1)Cn2c3c(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,