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Substance Name: Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate
RN: 97314-16-4
InChIKey: IPTMVQLGEBQCLR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H15-F3-N2-O4-S

Molecular Weight

  • 304.288
 
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Names and Synonyms

Synonym

  • Thioacetic acid S-2-(2-aminopropionamido)ethyl ester trifluoroacetate

Systematic Name

  • Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate

Registry Numbers

CAS Registry Number

  • 97314-16-4

System Generated Number

  • 0097314164

Structure Descriptors

InChI

1S/C7H14N2O2S.C2HF3O2/c1-5(8)7(11)9-3-4-12-6(2)10;3-2(4,5)1(6)7/h5H,3-4,8H2,1-2H3,(H,9,11);(H,6,7)

InChIKey

IPTMVQLGEBQCLR-UHFFFAOYSA-N

Smiles

C(C(=O)[O-])(F)(F)F.C([C@@H](C)[NH3+])(NCCSC(C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1250mg/kg (1250mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 2217, 1986.