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Substance Name: Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate
RN: 97314-07-3
InChIKey: IBMQJOFNRUSBDX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H11-Cl2-F3-N2-O4-S

Molecular Weight

  • 359.151
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97314-07-3

System Generated Number

  • 0097314073

Structure Descriptors

InChI

1S/C6H10Cl2N2O2S.C2HF3O2/c7-5(8)6(12)13-2-1-10-4(11)3-9;3-2(4,5)1(6)7/h5H,1-3,9H2,(H,10,11);(H,6,7)

InChIKey

IBMQJOFNRUSBDX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 2217, 1986.