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Substance Name: Ethanethiol, 2-(3-phthalimidopropylamino)-, hydrogen phosphate (ester)
RN: 31786-65-9
InChIKey: WMBSOPACLSAILY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N2-O5-P-S

Molecular Weight

  • 344.326
 
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Names and Synonyms

Synonyms

  • 2-(3-Phthalimidopropylamino)ethanethiol hydrogen phosphate (ester)
  • BRN 1495797
  • N-(3-(2-Mercaptoethylamino)propyl)phthalimide, hydrogen phosphate (ester)
  • Phthalimide, N-(3-(2-mercaptoethylamino)propyl)-, hydrogen phosphate (ester)

Systematic Names

  • Ethanethiol, 2-(3-phthalimidopropylamino)-, hydrogen phosphate (ester)
  • Phosphorothioic acid, S-ester with N-(3-((mercaptoethyl)amino)propyl)phthalimide

Registry Numbers

CAS Registry Number

  • 31786-65-9

System Generated Number

  • 0031786659

Structure Descriptors

InChI

1S/C13H17N2O5PS/c16-12-10-4-1-2-5-11(10)13(17)15(12)8-3-6-14-7-9-22-21(18,19)20/h1-2,4-5,14H,3,6-9H2,(H2,18,19,20)

InChIKey

WMBSOPACLSAILY-UHFFFAOYSA-N

Smiles

P(=O)(O)(SCCNCCCN1C(=O)c2c(C1=O)cccc2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 187mg/kg (187mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 345, 1971.