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Substance Name: Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide
RN: 37018-52-3
InChIKey: KBPKLGXJWWCUPE-UHFFFAOYSA-N

Molecular Formula

  • C13-H23-N3-S.2Br-H

Molecular Weight

  • 415.236
 
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Names and Synonyms

Synonym

  • 2-(2-(1-Adamantyl)aminoethyl)thiopseudourea dihydrobromide

Systematic Names

  • Carbamimidothioic acid, 2-(tricyclo(3.3.1.13,7)dec-1-ylamino)ethyl ester, dihydrobromide
  • Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide

Registry Numbers

CAS Registry Number

  • 37018-52-3

System Generated Number

  • 0037018523

Molecular Formulas

Molecular Formula

  • C13-H23-N3-S.2Br-H

Molecular Formula Fragments

  • Br-H
  • C13-H23-N3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C13H23N3S.2BrH/c14-12(15)17-2-1-16-13-6-9-3-10(7-13)5-11(4-9)8-13;;/h9-11,16H,1-8H2,(H3,14,15);2*1H

InChIKey

KBPKLGXJWWCUPE-UHFFFAOYSA-N

Smiles

C1C2CC3CC1CC(C3)(NCCSC(N)=N)C2.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 240mg/kg (240mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 595, 1972.