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Substance Name: 2,4-Thiazolidinedione, 5-((4-((7-(1,1-dimethylethyl)-3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)-
RN: 97323-07-4
InChIKey: KMCXNGXUURGATQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H29-N-O5-S

Molecular Weight

  • 455.5721
 
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Names and Synonyms

Synonyms

  • 5-(4-(7-t-Butyl-6-hydroxy-2-methylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione
  • BRN 6543939

Systematic Name

  • 2,4-Thiazolidinedione, 5-((4-((7-(1,1-dimethylethyl)-3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 97323-07-4

System Generated Number

  • 0097323074

Structure Descriptors

InChI

1S/C25H29NO5S/c1-24(2,3)18-13-20-16(12-19(18)27)9-10-25(4,31-20)14-30-17-7-5-15(6-8-17)11-21-22(28)26-23(29)32-21/h5-8,12-13,21,27H,9-11,14H2,1-4H3,(H,26,28,29)

InChIKey

KMCXNGXUURGATQ-UHFFFAOYSA-N

Smiles

S1C(NC([C@@H]1Cc1ccc(cc1)OC[C@@]1(CCc2cc(c(cc2O1)C(C)(C)C)O)C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   European Patent Application. Vol. #439321,