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Substance Name: Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2)
RN: 56643-20-0
InChIKey: AEYOOYGXUSCILK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H20-N2-O7-P2-S2

Molecular Weight

  • 370.322
 
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Names and Synonyms

Synonyms

  • BRN 2477282
  • Phosphorothioic acid, S-ester with 2-hydroxytrimethylenediiminodiethanethiol (2:1)

Systematic Name

  • Ethanethiol, 2-hydroxytrimethylenediiminodi-, dihydrogen phosphorothioate (1:2)

Registry Numbers

CAS Registry Number

  • 56643-20-0

System Generated Number

  • 0056643200

Structure Descriptors

InChI

1S/C7H20N2O7P2S2/c10-7(5-8-1-3-19-17(11,12)13)6-9-2-4-20-18(14,15)16/h7-10H,1-6H2,(H2,11,12,13)(H2,14,15,16)

InChIKey

AEYOOYGXUSCILK-UHFFFAOYSA-N

Smiles

P(=O)(SCCNCC(O)CNCCSP(=O)(O)O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 475mg/kg (475mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 803, 1975.