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Substance Name: Acetamidine, N-(3-(1-adamantyl)propyl)-2-mercapto-, hydrochloride
RN: 40284-10-4
InChIKey: JDPIYUBQEKGSRE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H26-N2-S.Cl-H

Molecular Weight

  • 302.911
 
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Names and Synonyms

Synonym

  • N-(3-(1-Adamantyl)propyl)-2-mercaptoacetamidine hydrochloride

Systematic Names

  • Acetamidine, N-(3-(1-adamantyl)propyl)-2-mercapto-, hydrochloride
  • Ethanimidamide, 2-mercapto-N-(3-tricyclo(3.3.1.13,7)dec-1-ylpropyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 40284-10-4

System Generated Number

  • 0040284104

Molecular Formulas

Molecular Formula

  • C15-H26-N2-S.Cl-H

Molecular Formula Fragments

  • C15-H26-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H26N2S.ClH/c16-14(10-18)17-3-1-2-15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-13,18H,1-10H2,(H2,16,17);1H

InChIKey

JDPIYUBQEKGSRE-UHFFFAOYSA-N

Smiles

C1C2CC3CC(CCCNC(CS)=N)(C2)CC1C3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 350mg/kg (350mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.