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Substance Name: Propanoic acid, 2-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)-, (+-)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
RN: 61560-16-5
InChIKey: TUIJKBGCBPZOBV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-N2-O3-S.C6-H15-N-O3

Molecular Weight

  • 413.4923
 
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Names and Synonyms

Synonym

  • Triethanolamine, 2-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate

Systematic Name

  • Propanoic acid, 2-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)-, (+-)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)

Registry Numbers

CAS Registry Number

  • 61560-16-5

System Generated Number

  • 0061560165

Molecular Formulas

Molecular Formula

  • C12-H11-N2-O3-S.C6-H15-N-O3

Molecular Formula Fragments

  • C12-H11-N2-O3-S
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C12H12N2O3S.C6H15NO3/c1-8(12(15)16)18-7-10-13-11(14-17-10)9-5-3-2-4-6-9;8-4-1-7(2-5-9)3-6-10/h2-6,8H,7H2,1H3,(H,15,16);8-10H,1-6H2

InChIKey

TUIJKBGCBPZOBV-UHFFFAOYSA-N

Smiles

CC(C(=O)O)SCc1nc(no1)c2ccccc2.C(CO)N(CCO)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 240mg/kg (240mg/kg)   United States Patent Document. Vol. #4067988,