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Substance Name: S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate
RN: 20709-37-9
InChIKey: ZFRBZRBCVWXTHC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H17-N2-O3-P-S

Molecular Weight

  • 228.2513
 
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Names and Synonyms

Name of Substance

  • S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate

Synonyms

  • Ethanethiol, 2-((4-aminobutyl)amino)-, dihydrogen phosphate (ester)
  • Phosphorothioic acid, S-(2-((4-aminobutyl)amino)ethyl) ester
  • Phosphorothioic acid, S-ester with 2-((4-aminobutyl)amino)ethanethiol
  • S-2-((4-Aminobutyl)amino)ethyl dihydrogen phosphorothioate
  • WR 2822

Systematic Name

  • Phosphorothioic acid, S-(2-((4-aminobutyl)amino)ethyl) ester

Registry Numbers

CAS Registry Number

  • 20709-37-9

System Generated Number

  • 0020709379

Structure Descriptors

InChI

1S/C6H17N2O3PS/c7-3-1-2-4-8-5-6-13-12(9,10)11/h8H,1-7H2,(H2,9,10,11)

InChIKey

ZFRBZRBCVWXTHC-UHFFFAOYSA-N

Smiles

NCCCCNCCSP(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 236, 1969.