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Substance Name: Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)
RN: 37018-32-9
InChIKey: KQSCFSFNCZTFMB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H21-N-O3-S2

Molecular Weight

  • 291.434
 
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Names and Synonyms

Synonyms

  • 2-(2-Adamantylamino)ethanethiol hydrogen sulfate (ester)
  • BRN 2859549
  • Thiosulfuric acid, S-(2-(tricyclo(3.3.1.1(sup 3,7))dec-2-ylamino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 37018-32-9

System Generated Number

  • 0037018329

Structure Descriptors

InChI

1S/C12H21NO3S2/c14-18(15,16)17-2-1-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-13H,1-7H2,(H,14,15,16)

InChIKey

KQSCFSFNCZTFMB-UHFFFAOYSA-N

Smiles

C(CNC1C2CC3CC1CC(C2)C3)SS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 275mg/kg (275mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 595, 1972.