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Substance Name: Butanethiol, 4-guanidino-, hydrogen sulfate (ester)
RN: 22059-42-3
InChIKey: LJXVGZZEFUHOPD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H13-N3-O3-S2

Molecular Weight

  • 227.308
 
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Names and Synonyms

Synonyms

  • 4-Guanidinobutylthiol hydrogen sulfate (ester)
  • BRN 3051542

Systematic Name

  • Butanethiol, 4-guanidino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 22059-42-3

System Generated Number

  • 0022059423

Structure Descriptors

InChI

1S/C5H13N3O3S2/c6-5(7)8-3-1-2-4-12-13(9,10)11/h1-4H2,(H4,6,7,8)(H,9,10,11)

InChIKey

LJXVGZZEFUHOPD-UHFFFAOYSA-N

Smiles

S(SCCCCNC(N)=N)(O)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 723, 1969.