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Substance Name: Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride
RN: 22545-60-4
InChIKey: JAUBBHIDNRDRIK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-S.Cl-H

Molecular Weight

  • 274.858
 
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Names and Synonyms

Synonyms

  • N-(1-Adamantylmethyl)-2-mercaptoacetamidine hydrochloride
  • NSC 193461

Systematic Names

  • Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride
  • Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, monohydrochloride (8CI)
  • Ethanimidamide, 2-mercapto-N-(tricyclo(3.3.1.13,7)dec-1-ylmethyl)-, monohydrochloride (9CI)

Registry Numbers

CAS Registry Number

  • 22545-60-4

System Generated Number

  • 0022545604

Molecular Formulas

Molecular Formula

  • C13-H22-N2-S.Cl-H

Molecular Formula Fragments

  • C13-H22-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H22N2S.ClH/c14-12(7-16)15-8-13-4-9-1-10(5-13)3-11(2-9)6-13;/h9-11,16H,1-8H2,(H2,14,15);1H

InChIKey

JAUBBHIDNRDRIK-UHFFFAOYSA-N

Smiles

C1C2(CC3CC1CC(C3)C2)CNC(CS)=N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 22mg/kg (22mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 65mg/kg (65mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.