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Substance Name: Acetic acid, trichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate
RN: 104071-81-0
InChIKey: OYTCVCCQKAIMCC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H10-Cl3-F3-N2-O4-S

Molecular Weight

  • 393.596
 
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Names and Synonyms

Synonym

  • Trichlorothioacetic acid S-2-(2-aminoacetamido)ethyl ester trifluoroacetate

Systematic Name

  • Acetic acid, trichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate

Registry Numbers

CAS Registry Number

  • 104071-81-0

System Generated Number

  • 0104071810

Structure Descriptors

InChI

1S/C6H9Cl3N2O2S.C2HF3O2/c7-6(8,9)5(13)14-2-1-11-4(12)3-10;3-2(4,5)1(6)7/h1-3,10H2,(H,11,12);(H,6,7)

InChIKey

OYTCVCCQKAIMCC-UHFFFAOYSA-N

Smiles

S(CCNC(C[NH3+])=O)C(C(Cl)(Cl)Cl)=O.C(C(=O)[O-])(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 2217, 1986.