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Substance Name: Propanethiol, 3-guanidino-, hydrogen sulfate (ester)
RN: 22059-41-2
InChIKey: KMRUMDCKCWFUAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H11-N3-O3-S2

Molecular Weight

  • 213.281
 
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Names and Synonyms

Synonyms

  • 2-Guanidinopropylthiol hydrogen sulfate (ester)
  • BRN 3050036

Systematic Name

  • Propanethiol, 3-guanidino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 22059-41-2

System Generated Number

  • 0022059412

Structure Descriptors

InChI

1S/C4H11N3O3S2/c5-4(6)7-2-1-3-11-12(8,9)10/h1-3H2,(H4,5,6,7)(H,8,9,10)

InChIKey

KMRUMDCKCWFUAW-UHFFFAOYSA-N

Smiles

C(N)(=N)NCCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 723, 1969.