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Substance Name: Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate
RN: 64058-79-3
InChIKey: PDVRHNOYDKBSNX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H50-N4-S2.2Cl-H.H2-O

Molecular Weight

  • 621.822
 
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Names and Synonyms

Synonym

  • 2,2'-Dithiobis(N-(3-(1-admantyl)propyl)acetamidine) dihydrochloride hydrate

Systematic Name

  • Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 64058-79-3

System Generated Number

  • 0064058793

Molecular Formulas

Molecular Formula

  • C30-H50-N4-S2.2Cl-H.H2-O

Molecular Formula Fragments

  • C30-H50-N4-S2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C30H50N4S2.2ClH.H2O/c31-27(33-5-1-3-29-13-21-7-22(14-29)9-23(8-21)15-29)19-35-36-20-28(32)34-6-2-4-30-16-24-10-25(17-30)12-26(11-24)18-30;;;/h21-26H,1-20H2,(H2,31,33)(H2,32,34);2*1H;1H2

InChIKey

PDVRHNOYDKBSNX-UHFFFAOYSA-N

Smiles

Cl.Cl.C1C2CC3CC1CC(C3)(C2)CCCNC(CSSCC(NCCCC12CC3CC(CC(C3)C1)C2)=N)=N.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12mg/kg (12mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.