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Substance Name: Ethanethioic acid, S-(2-((2-amino-1-oxo-3-phenylpropyl)amino)ethyl) ester, (S)-, mono(trifluoroacetate)
RN: 147529-79-1
InChIKey: WZRDWHIAUFUAIZ-YDALLXLXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2-O2-S.C2-H-F3-O2

Molecular Weight

  • 380.3851
 
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Names and Synonyms

Synonym

  • N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate

Systematic Name

  • Ethanethioic acid, S-(2-((2-amino-1-oxo-3-phenylpropyl)amino)ethyl) ester, (S)-, mono(trifluoroacetate)

Registry Numbers

CAS Registry Number

  • 147529-79-1

System Generated Number

  • 0147529791

Molecular Formulas

Molecular Formula

  • C13-H18-N2-O2-S.C2-H-F3-O2

Molecular Formula Fragments

  • C13-H18-N2-O2-S
  • C2-H-F3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18N2O2S.C2HF3O2/c1-10(16)18-8-7-15-13(17)12(14)9-11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-6,12H,7-9,14H2,1H3,(H,15,17);(H,6,7)/t12-;/m0./s1

InChIKey

WZRDWHIAUFUAIZ-YDALLXLXSA-N

Smiles

CC(=O)SCCNC(=O)[C@H](Cc1ccccc1)N.C(=O)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 809, 1992.