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Substance Name: O,O-Diethyl S-(2-dimethylaminoethyl) phosphorothioate
RN: 3147-20-4
InChIKey: GRPHSFSJUDRMKP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H20-N-O3-P-S

Molecular Weight

  • 241.29
 
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Names and Synonyms

Name of Substance

  • O,O-Diethyl S-(2-dimethylaminoethyl) phosphorothioate

Synonyms

  • 217AO
  • 4-04-00-01584 (Beilstein Handbook Reference)
  • BRN 1780326
  • S-(2-(N,N-Dimethylamino)ethyl)O,O-diethyl phosphorothiolate

Systematic Names

  • Phosphorothioic acid, O,O-diethyl S-(2-dimethylaminoethyl) ester
  • Phosphorothioic acid, S-(2-(dimethylamino)ethyl) O,O-diethyl ester, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 3147-20-4

Related Registry Numbers

  • 34067-35-1 (oxalate [2:1])
  • 470-94-0 (oxalate[1:1])

System Generated Number

  • 0003147204

Structure Descriptors

InChI

1S/C8H20NO3PS/c1-5-11-13(10,12-6-2)14-8-7-9(3)4/h5-8H2,1-4H3

InChIKey

GRPHSFSJUDRMKP-UHFFFAOYSA-N

Smiles

CCOP(=O)(OCC)SCCN(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2455ug/kg (2.455mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Pharmazie. Vol. 35, Pg. 806, 1980.
mouse LD50 subcutaneous 230ug/kg (0.23mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 810, 1976.