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Substance Name: Benzoic acid, 4-(((5-(((4-acetyl-3-hydroxy-2-propylphenyl)methyl)thio)-1,3,4-thiadiazol-2-yl)thio)methyl)-
RN: 107859-85-8
InChIKey: YDAWSENOODYQBR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-N2-O4-S3

Molecular Weight

  • 474.6238
 
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Names and Synonyms

Synonyms

  • 4-(((5-((4-Acetyl-3-hydroxy-2-propylbenzyl)thio)1,3,4-thiadiazol-2-yl)thio)methyl)benzoic acid
  • YM-17551

Systematic Name

  • Benzoic acid, 4-(((5-(((4-acetyl-3-hydroxy-2-propylphenyl)methyl)thio)-1,3,4-thiadiazol-2-yl)thio)methyl)-

Registry Numbers

CAS Registry Number

  • 107859-85-8

System Generated Number

  • 0107859858

Structure Descriptors

InChI

1S/C22H22N2O4S3/c1-3-4-18-16(9-10-17(13(2)25)19(18)26)12-30-22-24-23-21(31-22)29-11-14-5-7-15(8-6-14)20(27)28/h5-10,26H,3-4,11-12H2,1-2H3,(H,27,28)

InChIKey

YDAWSENOODYQBR-UHFFFAOYSA-N

Smiles

CCCc1c(ccc(c1O)C(=O)C)CSc2nnc(s2)SCc3ccc(cc3)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 300mg/kg (300mg/kg)   Drugs of the Future. Vol. 15, Pg. 905, 1990.