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Substance Name: Pyrazinecarboxamide, N-(1-hydroxy-2-(4-((3-methylbutyl)thio)phenyl)-2-oxoethyl)-
RN: 53140-58-2
InChIKey: SBSZECNGISDGHX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N3-O3-S

Molecular Weight

  • 359.4479
 
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Names and Synonyms

Synonyms

  • 4-Isopentylphenylglyoxal-N-pyrazinamido hemiacetal
  • BRN 0847952
  • N-(1-Hydroxy-2-(4-((3-methylbutyl)thio)phenyl)-2-oxoethyl)pyrazinecarboxamide

Systematic Name

  • Pyrazinecarboxamide, N-(1-hydroxy-2-(4-((3-methylbutyl)thio)phenyl)-2-oxoethyl)-

Registry Numbers

CAS Registry Number

  • 53140-58-2

System Generated Number

  • 0053140582

Structure Descriptors

InChI

1S/C18H21N3O3S/c1-12(2)7-10-25-14-5-3-13(4-6-14)16(22)18(24)21-17(23)15-11-19-8-9-20-15/h3-6,8-9,11-12,18,24H,7,10H2,1-2H3,(H,21,23)

InChIKey

SBSZECNGISDGHX-UHFFFAOYSA-N

Smiles

CC(C)CCSc1ccc(cc1)C(=O)C(NC(=O)c2cnccn2)O

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.