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Substance Name: Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide (8CI)
RN: 27956-88-3
InChIKey: MQAISPIJGUNNSJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H13-N2-O4-P-S

Molecular Weight

  • 228.208
 
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Names and Synonyms

Synonyms

  • 3-((2-(Phosphonothio)ethyl)amino)propanamide
  • Betamide
  • BRN 3948132
  • S-(2-((2'-Carbamoylethyl)amino)ethyl) dihydrogen phosphorothioate
  • WR6458

Systematic Names

  • Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide (8CI)
  • Propanamide, 3-((2-(phosphonothio)ethyl)amino)-

Registry Numbers

CAS Registry Number

  • 27956-88-3

System Generated Number

  • 0027956883

Structure Descriptors

InChI

1S/C5H13N2O4PS/c6-5(8)1-2-7-3-4-13-12(9,10)11/h7H,1-4H2,(H2,6,8)(H2,9,10,11)

InChIKey

MQAISPIJGUNNSJ-UHFFFAOYSA-N

Smiles

C(CCNCCSP(=O)(O)O)(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2501, 1990.