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Substance Name: Propanamide, N-(1,1-dimethylethyl)-3-((2-(phosphonothio)ethyl)amino)-, lithium salt, hydrate (2:4:1)
RN: 127914-18-5
InChIKey: MONUAABTHXJUER-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H19-N2-O4-P-S.2Li.1/2H2-O

Molecular Weight

  • 290.248
 
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Names and Synonyms

Synonym

  • S-(2-((2'-(N'-tert-Butylcarbamoyl)ethyl)amino)ethyl)dilithium phosphorothioate hemihydrate

Systematic Name

  • Propanamide, N-(1,1-dimethylethyl)-3-((2-(phosphonothio)ethyl)amino)-, lithium salt, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 127914-18-5

System Generated Number

  • 0127914185

Molecular Formulas

Molecular Formula

  • C9-H19-N2-O4-P-S.2Li.1/2H2-O

Molecular Formula Fragments

  • C9-H19-N2-O4-P-S
  • COMPONENT
  • H2-O
  • Li

Structure Descriptors

InChI

1S/C9H21N2O4PS.Li/c1-9(2,3)11-8(12)4-5-10-6-7-17-16(13,14)15;/h10H,4-7H2,1-3H3,(H,11,12)(H2,13,14,15);/q;+1/p-1

InChIKey

MONUAABTHXJUER-UHFFFAOYSA-M

Smiles

[Li+].CC(C)(C)NC(=O)CCNCCSP(=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 250, 1990.