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Substance Name: Acetamide, N-tert-butyl-N-(1-cyano-2-(3-pyridyl)amidino)-, hydrate
RN: 73681-13-7
InChIKey: SCQHZIIYUMJRRK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N5-O.H2-O

Molecular Weight

  • 277.3261
 
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Names and Synonyms

Synonym

  • N-tert-Butyl-N-(1-cyano-2-(3-pyridyl)amidino)acetamide hydrate

Systematic Name

  • Acetamide, N-tert-butyl-N-(1-cyano-2-(3-pyridyl)amidino)-, hydrate

Registry Numbers

CAS Registry Number

  • 73681-13-7

System Generated Number

  • 0073681137

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.H2O/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);1H2

InChIKey

SCQHZIIYUMJRRK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 615mg/kg (615mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Journal of Medicinal Chemistry. Vol. 21, Pg. 773, 1978.