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Substance Name: Acetamidine, N-(2-adamantyl)-2-mercapto-, hydrochloride
RN: 40284-08-0
InChIKey: HENARLBIUBUVMN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N2-S.Cl-H

Molecular Weight

  • 260.831
 
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Names and Synonyms

Synonym

  • N-(2-Adamantyl)-2-mercaptoacetamidine hydrochloride

Systematic Name

  • Acetamidine, N-(2-adamantyl)-2-mercapto-, hydrochloride

Registry Numbers

CAS Registry Number

  • 40284-08-0

System Generated Number

  • 0040284080

Molecular Formulas

Molecular Formula

  • C12-H20-N2-S.Cl-H

Molecular Formula Fragments

  • C12-H20-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H20N2S.ClH/c13-11(6-15)14-12-9-2-7-1-8(4-9)5-10(12)3-7;/h7-10,12,15H,1-6H2,(H2,13,14);1H

InChIKey

HENARLBIUBUVMN-UHFFFAOYSA-N

Smiles

C1C2CC3CC1CC(C2)C3NC(CS)=N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 17mg/kg (17mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 35mg/kg (35mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.