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Substance Name: 1-Propanethiol, 3-((2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)-, dihydrochloride
RN: 88313-61-5
InChIKey: SILSYNJIKUOWKK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H30-N2-S.2Cl-H

Molecular Weight

  • 355.415
 
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Names and Synonyms

Synonyms

  • 3-((2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)-1-propanethiol 2HCl
  • N-(Adamantyl-1-methyl)-N'-(3-mercaptopropyl)ethylenediamine dihydrochloride

Systematic Name

  • 1-Propanethiol, 3-((2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 88313-61-5

System Generated Number

  • 0088313615

Molecular Formulas

Molecular Formula

  • C16-H30-N2-S.2Cl-H

Molecular Formula Fragments

  • C16-H30-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H30N2S.2ClH/c19-5-1-2-17-3-4-18-12-16-9-13-6-14(10-16)8-15(7-13)11-16;;/h13-15,17-19H,1-12H2;2*1H

InChIKey

SILSYNJIKUOWKK-UHFFFAOYSA-N

Smiles

C1C2CC3CC(CNCCNCCCS)(C2)CC1C3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 114mg/kg (114mg/kg)   Pharmaceutical Chemistry Journal Vol. 17, Pg. 716, 1983.