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Substance Name: Ethanethiol, 2-(1-adamantyl)amino-, hydrogen sulfate (ester)
RN: 37018-31-8
InChIKey: YXDYLGVKBVJRMA-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-(1-Adamantyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2861884

Systematic Names

  • Ethanethiol, 2-(1-adamantyl)amino-, hydrogen sulfate (ester)
  • Thiosulfuric acid (H2S2O3), S-(2-(tricyclo(3.3.1.13,7)dec-1-ylamino)ethyl) ester

Registry Numbers

CAS Registry Number

  • 37018-31-8

System Generated Number

  • 0037018318

Structure Descriptors

InChI

1S/C12H21NO3S2/c14-18(15,16)17-2-1-13-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2,(H,14,15,16)

InChIKey

YXDYLGVKBVJRMA-UHFFFAOYSA-N

Smiles

C1C2(NCCSS(O)(=O)=O)CC3CC1CC(C3)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 560mg/kg (560mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 595, 1972.