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Substance Name: Methanethiol, (N-1-adamantylmethyl)amidino-, hydrogen sulfate (ester)
RN: 40283-72-5
InChIKey: PBIXEKKBTRACPD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O3-S2

Molecular Weight

  • 318.46
 
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Names and Synonyms

Synonyms

  • BRN 2884121
  • NSC 187514
  • S-((N-1-Adamantylmethylamidino)methyl) hydrogen thiosulfate

Systematic Names

  • Methanethiol, (N-1-adamantylmethyl)amidino-, hydrogen sulfate (ester)
  • Thiosulfuric acid (H2S2O3), S-(2-imino-2-((tricyclo(3.3.1.13,7)dec-1-ylmethyl)amino)ethyl) ester (9CI)

Registry Numbers

CAS Registry Number

  • 40283-72-5

System Generated Number

  • 0040283725

Structure Descriptors

InChI

1S/C13H22N2O3S2/c14-12(7-19-20(16,17)18)15-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2,(H2,14,15)(H,16,17,18)

InChIKey

PBIXEKKBTRACPD-UHFFFAOYSA-N

Smiles

C1C2CC3(CC(C2)CC1C3)CNC(CSS(=O)(=O)O)=N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.