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Substance Name: Acetamidine, 2,2'-dithiobis(N-(2-(1-adamantylthio)ethyl)-, dihydrochloride, hydrate
RN: 64058-80-6
InChIKey: LHOVVAOKADDNJH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H46-N4-S4.2Cl-H.H2-O

Molecular Weight

  • 657.9
 
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Names and Synonyms

Synonym

  • 2,2'-Dithiobis(N-(2-(1-adamantylthio)ethyl)acetamidine) dihydrochloride hydrate

Systematic Name

  • Acetamidine, 2,2'-dithiobis(N-(2-(1-adamantylthio)ethyl)-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 64058-80-6

System Generated Number

  • 0064058806

Molecular Formulas

Molecular Formula

  • C28-H46-N4-S4.2Cl-H.H2-O

Molecular Formula Fragments

  • C28-H46-N4-S4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H46N4S4.2ClH.H2O/c29-25(31-1-3-33-27-11-19-5-20(12-27)7-21(6-19)13-27)17-35-36-18-26(30)32-2-4-34-28-14-22-8-23(15-28)10-24(9-22)16-28;;;/h19-24H,1-18H2,(H2,29,31)(H2,30,32);2*1H;1H2

InChIKey

LHOVVAOKADDNJH-UHFFFAOYSA-N

Smiles

Cl.Cl.C1C2CC3CC1CC(C3)(C2)SCCNC(CSSCC(NCCSC12CC3CC(CC(C3)C1)C2)=N)=N.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 15mg/kg (15mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.