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Substance Name: Ethanethiol, 2-((2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)amino)-, dihydrogen phosphate (ester),monolithium salt, hydrate
RN: 127914-16-3
InChIKey: DDSNDKTZICRMBB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H15-N3-O3-P-S.Li.H2-O

Molecular Weight

  • 259.1945
 
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Names and Synonyms

Synonyms

  • 2-((2-(4,5-Dihydro-1H-imidazol-2-yl)ethyl)amino)ethanethiol dihydrogen phosphate lithium salt
  • S-(2-((2'-(4,5-Dihydroimidazolyl)ethyl)amino)ethyl)lithium hydrogen phosphorothioate hydrate

Systematic Name

  • Ethanethiol, 2-((2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)amino)-, dihydrogen phosphate (ester),monolithium salt, hydrate

Registry Numbers

CAS Registry Number

  • 127914-16-3

System Generated Number

  • 0127914163

Molecular Formulas

Molecular Formula

  • C7-H15-N3-O3-P-S.Li.H2-O

Molecular Formula Fragments

  • C7-H15-N3-O3-P-S
  • COMPONENT
  • H2-O
  • Li

Structure Descriptors

InChI

1S/C7H16N3O3PS.Li/c11-14(12,13)15-6-5-8-2-1-7-9-3-4-10-7;/h8H,1-6H2,(H,9,10)(H2,11,12,13);/q;+1/p-1

InChIKey

DDSNDKTZICRMBB-UHFFFAOYSA-M

Smiles

[Li+].C1CN=C(N1)CCNCCSP(=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2501, 1990.