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Substance Name: Ethanethioic acid, S-(2-((2-pyrrolidinylcarbonyl)amino)ethyl) ester, (S)-, mono(trifluoroacetate)
RN: 147529-81-5
InChIKey: FUUKLIRYULRBHV-QRPNPIFTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-N2-O2-S.C2-H-F3-O2

Molecular Weight

  • 330.3253
 
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Names and Synonyms

Synonym

  • N-Prolyl-S-acetylcysteamine trifluoroacetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 147529-81-5

System Generated Number

  • 0147529815

Molecular Formulas

Molecular Formula

  • C9-H16-N2-O2-S.C2-H-F3-O2

Molecular Formula Fragments

  • C2-H-F3-O2
  • C9-H16-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H16N2O2S.C2HF3O2/c1-7(12)14-6-5-11-9(13)8-3-2-4-10-8;3-2(4,5)1(6)7/h8,10H,2-6H2,1H3,(H,11,13);(H,6,7)/t8-;/m0./s1

InChIKey

FUUKLIRYULRBHV-QRPNPIFTSA-N

Smiles

CC(=O)SCCNC(=O)[C@@H]1CCCN1.C(=O)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 809, 1992.