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Substance Name: Propanimidamide, N-methyl-3-((2-(phosphonothio)ethyl)amino)-, hydrate (1:3)
RN: 127914-13-0
InChIKey: MOZLCQZOHUQWBQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H16-N3-O3-P-S.3H2-O

Molecular Weight

  • 241.2504
 
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Names and Synonyms

Synonyms

  • N-Methyl-3-((2-(phosphonothio)ethyl)amino)propanimidamide hydrate (1:3)
  • S-(2-((2'-(N-Methylamidino)ethyl)amino)ethyl)phosphorothioic acid trihydrate

Systematic Name

  • Propanimidamide, N-methyl-3-((2-(phosphonothio)ethyl)amino)-, hydrate (1:3)

Registry Numbers

CAS Registry Number

  • 127914-13-0

System Generated Number

  • 0127914130

Molecular Formulas

Molecular Formula

  • C6-H16-N3-O3-P-S.3H2-O

Molecular Formula Fragments

  • C6-H16-N3-O3-P-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C6H16N3O3PS/c1-8-6(7)2-3-9-4-5-14-13(10,11)12/h9H,2-5H2,1H3,(H2,7,8)(H2,10,11,12)

InChIKey

MOZLCQZOHUQWBQ-UHFFFAOYSA-N

Smiles

CNC(=N)CCNCCSP(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2501, 1990.