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Substance Name: Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate
RN: 67026-85-1
InChIKey: UYURSIDNENQIOT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N5-O.H2-O

Molecular Weight

  • 259.3113
 
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Names and Synonyms

Synonyms

  • Acetamide, N-(1-tert-butyl-2-cyano-3-(3-pyridyl)guanidino)-, monohydrate
  • N-((Cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)acetamide hydrate
  • N-(1-tert-Butyl-2-cyano-3-(3-pyridyl)guanidino)acetamide monohydrate
  • N-Acetyl-N-tert-butyl-N''-cyano-N'-3-pyridylguanidine hydrate

Systematic Name

  • Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 67026-85-1

System Generated Number

  • 0067026851

Molecular Formulas

Molecular Formula

  • C13-H17-N5-O.H2-O

Molecular Formula Fragments

  • C13-H17-N5-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H17N5O/c1-10(19)18(13(2,3)4)12(16-9-14)17-11-6-5-7-15-8-11/h5-8H,1-4H3,(H,16,17)

InChIKey

UYURSIDNENQIOT-UHFFFAOYSA-N

Smiles

CC(=O)N(/C(=N/c1cccnc1)/NC#N)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 773, 1978.