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Substance Name: Phosphorothioic acid, S-(2-((5-aminopentyl)amino)ethyl) ester, hydrate
RN: 63717-26-0
InChIKey: RKGXIFBBSBBQGH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H19-N2-O3-P-S.H2-O

Molecular Weight

  • 260.293
 
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Names and Synonyms

Synonyms

  • Ethanethiol, 2-((5-aminopentyl)amino)-, dihydrogen phosphate (ester) hydrate
  • Phosphorothioic acid, S-ester with 2-((5-aminopentyl)amino)ethanethiol, hydrate
  • S-2-((5-Aminopentyl)amino)ethyl dihydrogen phosphorothioate hydrate

Systematic Name

  • Phosphorothioic acid, S-(2-((5-aminopentyl)amino)ethyl) ester, hydrate

Registry Numbers

CAS Registry Number

  • 63717-26-0

System Generated Number

  • 0063717260

Molecular Formulas

Molecular Formula

  • C7-H19-N2-O3-P-S.H2-O

Molecular Formula Fragments

  • C7-H19-N2-O3-P-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C7H19N2O3PS.H2O/c8-4-2-1-3-5-9-6-7-14-13(10,11)12;/h9H,1-8H2,(H2,10,11,12);1H2

InChIKey

RKGXIFBBSBBQGH-UHFFFAOYSA-N

Smiles

P(=O)(SCCNCCCCCN)(O)O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 550mg/kg (550mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 236, 1969.