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Substance Name: Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester)
RN: 30771-85-8
InChIKey: PDJVXXPVGQISQR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H26-N2-O4-S2

Molecular Weight

  • 362.512
 
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Names and Synonyms

Synonyms

  • BRN 4000763
  • S-((N-(3-(1-Adamantyloxy)propyl)amidino)methyl) hydrogen thiosulfate

Systematic Name

  • Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester)

Registry Numbers

CAS Registry Number

  • 30771-85-8

System Generated Number

  • 0030771858

Structure Descriptors

InChI

1S/C15H26N2O4S2/c16-14(10-22-23(18,19)20)17-2-1-3-21-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,1-10H2,(H2,16,17)(H,18,19,20)

InChIKey

PDJVXXPVGQISQR-UHFFFAOYSA-N

Smiles

C1C2CC3(OCCCNC(CSS(O)(=O)=O)=N)CC1CC(C3)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 35mg/kg (35mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.