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Substance Name: 1-Cyclohexene-1-carboxylic acid, 2-((5-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-yl)amino)-
RN: 160893-98-1
InChIKey: YSNOZZZDWRAZSF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N3-O3-S

Molecular Weight

  • 345.4211
 
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Names and Synonyms

Synonym

  • 2-((5-(2-Ethoxyphenyl)-1,3,4-thiadiazol-2-yl)amino)-1-cyclohexene-1-carboxylic acid

Systematic Name

  • 1-Cyclohexene-1-carboxylic acid, 2-((5-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-yl)amino)-

Registry Numbers

CAS Registry Number

  • 160893-98-1

System Generated Number

  • 0160893981

Structure Descriptors

InChI

1S/C17H19N3O3S/c1-2-23-14-10-6-4-8-12(14)15-19-20-17(24-15)18-13-9-5-3-7-11(13)16(21)22/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,18,20)(H,21,22)

InChIKey

YSNOZZZDWRAZSF-UHFFFAOYSA-N

Smiles

CCOc1ccccc1c2nnc(s2)NC3=C(CCCC3)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Pharmazie. Vol. 49, Pg. 880, 1994.
mouse LD50 oral 500mg/kg (500mg/kg)   Pharmazie. Vol. 49, Pg. 880, 1994.