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Substance Name: Acetamidine, 2,2'-dithiobis(N-(p-tert-butylthio)phenethyl-, dihydrochloride
RN: 40284-25-1
InChIKey: PGHIRTGWEUBCPY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H42-N4-S4.2Cl-H

Molecular Weight

  • 635.854
 
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Names and Synonyms

Synonym

  • 2,2'-Dithiobis(N-(p-tert-butylthio)phenethylacetamidine) dihydrochloride

Systematic Name

  • Acetamidine, 2,2'-dithiobis(N-(p-tert-butylthio)phenethyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 40284-25-1

System Generated Number

  • 0040284251

Molecular Formulas

Molecular Formula

  • C28-H42-N4-S4.2Cl-H

Molecular Formula Fragments

  • C28-H42-N4-S4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H42N4S4.2ClH/c1-27(2,3)35-23-11-7-21(8-12-23)15-17-31-25(29)19-33-34-20-26(30)32-18-16-22-9-13-24(14-10-22)36-28(4,5)6;;/h7-14H,15-20H2,1-6H3,(H2,29,31)(H2,30,32);2*1H

InChIKey

PGHIRTGWEUBCPY-UHFFFAOYSA-N

Smiles

c1(ccc(CCNC(CSSCC(NCCc2ccc(SC(C)(C)C)cc2)=[NH+])=[NH+])cc1)SC(C)(C)C.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 23mg/kg (23mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.