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Substance Name: Ethanethioic acid, S-(2-((3-(acetyloxy)-2-amino-1-oxopropyl)amino)ethyl) ester, (S)-, mono(trifluoroacetate)
RN: 147529-95-1
InChIKey: PESRXALDYOGQGH-QRPNPIFTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-N2-O4-S.C2-H-F3-O2

Molecular Weight

  • 362.3233
 
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Names and Synonyms

Synonym

  • N-(O-Acetylserinyl)-S-acetylcysteamine trifluoroacetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 147529-95-1

System Generated Number

  • 0147529951

Molecular Formulas

Molecular Formula

  • C9-H16-N2-O4-S.C2-H-F3-O2

Molecular Formula Fragments

  • C2-H-F3-O2
  • C9-H16-N2-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H16N2O4S.C2HF3O2/c1-6(12)15-5-8(10)9(14)11-3-4-16-7(2)13;3-2(4,5)1(6)7/h8H,3-5,10H2,1-2H3,(H,11,14);(H,6,7)/t8-;/m0./s1

InChIKey

PESRXALDYOGQGH-QRPNPIFTSA-N

Smiles

CC(=O)OC[C@@H](C(=O)NCCSC(=O)C)N.C(=O)(C(F)(F)F)O

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.