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Substance Name: WR 80855
RN: 20709-40-4
InChIKey: NPGJXAIEICLLSP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H19-N2-O3-P-S.2H2-O

Molecular Weight

  • 274.3633
 
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Names and Synonyms

Name of Substance

  • WR 80855

Synonyms

  • Phosphorothioic acid, S-ester with 3-((4-aminobutyl)amino)propanethiol, dihydrate
  • Propanethiol, 3-((4-aminobutyl)amino)-, dihydrogen phosphate (ester) hydrate
  • S-3-((4-Aminobutyl)amino)propyl dihydrogen phosphorothioate dihydrate

Systematic Names

  • 1-Propanethiol, 3-((4-aminobutyl)amino)-, dihydrogen phosphate (ester)
  • Phosphorothioic acid, S-(3-((4-aminobutyl)amino)propyl) ester, dihydrate

Registry Numbers

CAS Registry Number

  • 20709-40-4

System Generated Number

  • 0020709404

Molecular Formulas

Molecular Formula

  • C7-H19-N2-O3-P-S.2H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C7H19N2O3PS.2CH4/c8-4-1-2-5-9-6-3-7-14-13(10,11)12;;/h9H,1-8H2,(H2,10,11,12);2*1H4

InChIKey

NPGJXAIEICLLSP-UHFFFAOYSA-N

Smiles

C.C.NCCCCNCCCSP(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 225mg/kg (225mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 236, 1969.