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Substance Name: Ethanethioic acid, S-(2-(2-(2-(2-hydroxyphenyl)ethyl)-3-thiazolidinyl)-2-oxoethyl) ester
RN: 103195-82-0
InChIKey: KBDGQNVSMGAMRX-HNNXBMFYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-N-O3-S2

Molecular Weight

  • 325.4511
 
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Names and Synonyms

Synonym

  • S-(2-(2-(2-(2-Hydroxyphenyl)ethyl)-3-thiazolidinyl)-2-oxoethyl) ethanethioate

Systematic Name

  • Ethanethioic acid, S-(2-(2-(2-(2-hydroxyphenyl)ethyl)-3-thiazolidinyl)-2-oxoethyl) ester

Registry Numbers

CAS Registry Number

  • 103195-82-0

System Generated Number

  • 0103195820

Structure Descriptors

InChI

1S/C15H19NO3S2/c1-11(20)19-10-14(18)16-8-9-21-15(16)7-6-12-4-2-3-5-13(12)17/h2-5,15,17H,6-10H2,1H3/t15-/m0/s1

InChIKey

KBDGQNVSMGAMRX-HNNXBMFYSA-N

Smiles

CC(=S)OCC(=O)N1CCS[C@H]1CCc2ccccc2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 38, Pg. 508, 1995.