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Substance Name: Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate
RN: 63717-29-3
InChIKey: VOQLXJOTGDNQST-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H17-N2-O3-P-S.2H2-O

Molecular Weight

  • 264.281
 
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Names and Synonyms

Synonyms

  • Phosphorothioic acid, S-ester with 3-((3-aminopropyl)amino)propanethiol, dihydrate
  • Propanethiol, 3-((3-aminopropyl)amino)-, dihydrogen phosphate (ester) dihydrate
  • S-3-((3-Aminopropyl)amino)propyl dihydrogen phosphorothioate dihydrate

Systematic Name

  • Phosphorothioic acid, S-(3-((3-aminopropyl)amino)propyl) ester, dihydrate

Registry Numbers

CAS Registry Number

  • 63717-29-3

System Generated Number

  • 0063717293

Molecular Formulas

Molecular Formula

  • C6-H17-N2-O3-P-S.2H2-O

Molecular Formula Fragments

  • C6-H17-N2-O3-P-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C6H17N2O3PS.2H2O/c7-3-1-4-8-5-2-6-13-12(9,10)11;;/h8H,1-7H2,(H2,9,10,11);2*1H2

InChIKey

VOQLXJOTGDNQST-UHFFFAOYSA-N

Smiles

P(=O)(SCCCNCCCN)(O)O.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 560mg/kg (560mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 236, 1969.