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Substance Name: Ethanethioic acid, S-(2-(((methylamino)acetyl)amino)ethyl) ester, mono(trifluoroacetate)
RN: 97313-90-1
InChIKey: DEIIXJLDOMQNFL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H14-N2-O2-S.C2-H-F3-O2

Molecular Weight

  • 304.2875
 
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Names and Synonyms

Synonym

  • N-Sarcosine-S-acetylcysteamine trifluoroacetate

Systematic Name

  • Ethanethioic acid, S-(2-(((methylamino)acetyl)amino)ethyl) ester, mono(trifluoroacetate)

Registry Numbers

CAS Registry Number

  • 97313-90-1

System Generated Number

  • 0097313901

Molecular Formulas

Molecular Formula

  • C7-H14-N2-O2-S.C2-H-F3-O2

Molecular Formula Fragments

  • C2-H-F3-O2
  • C7-H14-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C7H14N2O2S.C2HF3O2/c1-6(10)12-4-3-9-7(11)5-8-2;3-2(4,5)1(6)7/h8H,3-5H2,1-2H3,(H,9,11);(H,6,7)

InChIKey

DEIIXJLDOMQNFL-UHFFFAOYSA-N

Smiles

C(C(=O)O)(F)(F)F.C(=O)(NCCSC(=O)C)CNC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 809, 1992.