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Substance Name: Phosphorothioic acid, S-((2-(3-aminopropylamino)-2-methyl)propyl) ester, hydrate (2:2:5)
RN: 63717-28-2
InChIKey: VEZDUYOIFCALMU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H19-N2-O3-P-S.5/2H2-O

Molecular Weight

  • 574.63
 
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Names and Synonyms

Synonyms

  • Propanethiol, 2-((3-aminopropyl)amino)-2-methyl-, dihydrogen phosphate (ester) hydrate
  • S-(2-((3-Aminopropyl)amino)-2-methyl)propyl dihydrogen phosphorothioate hydrate (2:2:5)

Systematic Name

  • Phosphorothioic acid, S-((2-(3-aminopropylamino)-2-methyl)propyl) ester, hydrate (2:2:5)

Registry Numbers

CAS Registry Number

  • 63717-28-2

System Generated Number

  • 0063717282

Molecular Formulas

Molecular Formula

  • C7-H19-N2-O3-P-S.5/2H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/2C7H19N2O3PS.5H2O/c2*1-7(5-9-4-2-3-8)6-14-13(10,11)12;;;;;/h2*7,9H,2-6,8H2,1H3,(H2,10,11,12);5*1H2

InChIKey

VEZDUYOIFCALMU-UHFFFAOYSA-N

Smiles

P(SC[C@@H](CNCCCN)C)(=O)(O)O.O.P(SC[C@@H](CNCCCN)C)(=O)(O)O.O.O.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 236, 1969.