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Substance Name: Thiazolidine, 3-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-2-((2-methoxyphenoxy)methyl)-
RN: 161364-58-5
InChIKey: CBNIRCSLDOFYEF-VQHVLOKHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N-O5-S

Molecular Weight

  • 387.4539
 
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Names and Synonyms

Synonym

  • 3-(3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)-2-((2-methoxyphenoxy)methyl)thiazolidine

Systematic Name

  • Thiazolidine, 3-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-2-((2-methoxyphenoxy)methyl)-

Registry Numbers

CAS Registry Number

  • 161364-58-5

System Generated Number

  • 0161364585

Structure Descriptors

InChI

1S/C20H21NO5S/c1-25-17-4-2-3-5-18(17)26-13-20-21(10-11-27-20)19(24)9-7-14-6-8-15(22)16(23)12-14/h2-9,12,20,22-23H,10-11,13H2,1H3/b9-7+

InChIKey

CBNIRCSLDOFYEF-VQHVLOKHSA-N

Smiles

COc1ccccc1OCC2N(CCS2)C(=O)/C=C/c3ccc(c(c3)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 38, Pg. 508, 1995.