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Substance Name: 2-Butanethiol, 2-guanidino-, hydrogen sulfate (ester)
RN: 63732-25-2
InChIKey: HWNQQXXZOQECES-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

Synonym

  • Guanidino-sec-butylthiol hydrogen sulfate (ester)

Systematic Name

  • 2-Butanethiol, 2-guanidino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 63732-25-2

System Generated Number

  • 0063732252

Structure Descriptors

InChI

1S/C5H13N3O3S2/c1-3-5(2,8-4(6)7)12-13(9,10)11/h3H2,1-2H3,(H4,6,7,8)(H,9,10,11)

InChIKey

HWNQQXXZOQECES-UHFFFAOYSA-N

Smiles

S([C@@](NC(N)=N)(CC)C)S(O)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 723, 1969.