Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate
RN: 64058-95-3
InChIKey: GNBXJURZZRJOAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N2-S.Cl-H.H2-O

Molecular Weight

  • 278.846
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • N-(1-Adamantyl)-2-mercaptoacetamidine hydrochloride hydrate

Systematic Name

  • Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 64058-95-3

System Generated Number

  • 0064058953

Molecular Formulas

Molecular Formula

  • C12-H20-N2-S.Cl-H.H2-O

Molecular Formula Fragments

  • C12-H20-N2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C12H20N2S.ClH.H2O/c13-11(7-15)14-12-4-8-1-9(5-12)3-10(2-8)6-12;;/h8-10,15H,1-7H2,(H2,13,14);1H;1H2

InChIKey

GNBXJURZZRJOAT-UHFFFAOYSA-N

Smiles

Cl.O.C1C2CC3(CC1CC(C3)C2)NC(CS)=N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.