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Substance Name: Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate
RN: 40283-78-1
InChIKey: BKQCNUPZIBYHSN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H12-N2-O4-S2

Molecular Weight

  • 228.2918
 
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Names and Synonyms

Synonym

  • S-((N-3-Hydroxypropylamidino)methyl) hydrogen thiosulfate

Systematic Name

  • Methanethiol, N-(3-hydroxypropyl)amidino-, hydrogen thiosulfate

Registry Numbers

CAS Registry Number

  • 40283-78-1

System Generated Number

  • 0040283781

Structure Descriptors

InChI

1S/C5H12N2O4S2/c6-5(7-2-1-3-8)4-12-13(9,10)11/h8H,1-4H2,(H2,6,7)(H,9,10,11)

InChIKey

BKQCNUPZIBYHSN-UHFFFAOYSA-N

Smiles

C(CNC(=N)CSS(=O)(=O)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.