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Substance Name: Ethanethiol, 2-(2-phthalimidoethylamino)-, monosodium phosphate (ester), hexahydrate
RN: 31327-86-3
InChIKey: XMHYBTWKIGDWCX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-N2-Na-O5-P-S.6H2-O

Molecular Weight

  • 352.282
 
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Names and Synonyms

Synonyms

  • 2-(2-Phthalimidoethylamino)ethanethiol monosodium phosphate (ester), hexahydrate
  • N-(2-(2-Mercaptoethylamino)ethyl)phthalimide, monosodium phosphate (ester), hexahydrate
  • Phthalimide, N-(2-(2-mercaptomethylamino)ethyl)-, monosodium phosphate (ester), hexahydrate

Systematic Name

  • Ethanethiol, 2-(2-phthalimidoethylamino)-, monosodium phosphate (ester), hexahydrate

Registry Numbers

CAS Registry Number

  • 31327-86-3

System Generated Number

  • 0031327863

Molecular Formulas

Molecular Formula

  • C12-H14-N2-Na-O5-P-S.6H2-O

Molecular Formula Fragments

  • C12-H14-N2-Na-O5-P-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C12H15N2O5PS.Na/c15-11-9-3-1-2-4-10(9)12(16)14(11)7-5-13-6-8-21-20(17,18)19;/h1-4,13H,5-8H2,(H2,17,18,19);/q;+1/p-1

InChIKey

XMHYBTWKIGDWCX-UHFFFAOYSA-M

Smiles

[Na+].P([O-])(SCCNCCN1C(=O)c2c(C1=O)cccc2)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 625mg/kg (625mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 345, 1971.