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Substance Name: Methanethiol, (N-(3,5-dimethyl)-1-adamantylmethyl)amidino-, hydrogen thiosulfate
RN: 40283-76-9
InChIKey: SQMLXMDRLSPKTA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H26-N2-O3-S2

Molecular Weight

  • 346.513
 
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Names and Synonyms

Synonyms

  • BRN 3992068
  • S-((N-(3,5-Dimethyl)-1-adamantylmethylamidino)methyl) hydrogen thiosulfate

Systematic Name

  • Methanethiol, (N-(3,5-dimethyl)-1-adamantylmethyl)amidino-, hydrogen thiosulfate

Registry Numbers

CAS Registry Number

  • 40283-76-9

System Generated Number

  • 0040283769

Structure Descriptors

InChI

1S/C15H26N2O3S2/c1-13-3-11-4-14(2,7-13)9-15(5-11,8-13)10-17-12(16)6-21-22(18,19)20/h11H,3-10H2,1-2H3,(H2,16,17)(H,18,19,20)

InChIKey

SQMLXMDRLSPKTA-UHFFFAOYSA-N

Smiles

C1[C@@]2(C)CC3(CNC(CSS(=O)(O)=O)=N)C[C@@]1(C)CC(C2)C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 44mg/kg (44mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.