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Substance Name: Pyrazinecarboxamide, N-(2-(4-(cyclohexylthio)phenyl)-1-hydroxy-2-oxoethyl)-
RN: 53066-92-5
InChIKey: OVTPCQSTULKQCD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N3-O3-S

Molecular Weight

  • 371.4589
 
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Names and Synonyms

Synonyms

  • 4-Cyclohexylthiophenylglyoxal-N-pyrazinamido hemiacetal
  • BRN 0853052
  • N-(2-(4-(Cyclohexylthio)phenyl)-1-hydroxy-2-oxoethyl)pyrazinecarboxamide

Systematic Name

  • Pyrazinecarboxamide, N-(2-(4-(cyclohexylthio)phenyl)-1-hydroxy-2-oxoethyl)-

Registry Numbers

CAS Registry Number

  • 53066-92-5

System Generated Number

  • 0053066925

Structure Descriptors

InChI

1S/C19H21N3O3S/c23-17(19(25)22-18(24)16-12-20-10-11-21-16)13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h6-12,14,19,25H,1-5H2,(H,22,24)

InChIKey

OVTPCQSTULKQCD-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)C(NC(=O)c2cnccn2)O)SC3CCCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Farmaco, Edizione Scientifica. Vol. 29, Pg. 473, 1974.