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Substance Name: Acetic acid, ((5-(2-(4-methoxyphenyl)-1-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester
RN: 78613-19-1
InChIKey: VPUGSSVKJAGDGI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O4-S

Molecular Weight

  • 398.4808
 
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Names and Synonyms

Synonym

  • Ethyl ((5-(2-(4-methoxyphenyl)-1-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetate

Systematic Name

  • Acetic acid, ((5-(2-(4-methoxyphenyl)-1-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 78613-19-1

System Generated Number

  • 0078613191

Structure Descriptors

InChI

1S/C21H22N2O4S/c1-3-26-19(24)14-28-21-23-22-20(27-21)18(16-7-5-4-6-8-16)13-15-9-11-17(25-2)12-10-15/h4-12,18H,3,13-14H2,1-2H3

InChIKey

VPUGSSVKJAGDGI-UHFFFAOYSA-N

Smiles

CCOC(=O)CSc1nnc(o1)C(Cc2ccc(cc2)OC)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of the Indian Chemical Society. Vol. 58, Pg. 269, 1981.