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Substance Name: 2(3H)-Furanone, dihydro-3-((3,4-dihydroxy-5-(((4-nitrophenyl)thio)methyl)phenyl)methylene)-
RN: 107803-27-0
InChIKey: IBPQZZQVKYXRLG-KPKJPENVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-N-O6-S

Molecular Weight

  • 373.3835
 
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Names and Synonyms

Synonym

  • Dihydro-3-((3,4-dihydroxy-5-(((4-nitrophenyl)thio)methyl)phenyl)methylene)-2(3H)-furanone

Systematic Name

  • 2(3H)-Furanone, dihydro-3-((3,4-dihydroxy-5-(((4-nitrophenyl)thio)methyl)phenyl)methylene)-

Registry Numbers

CAS Registry Number

  • 107803-27-0

System Generated Number

  • 0107803270

Structure Descriptors

InChI

1S/C18H15NO6S/c20-16-9-11(7-12-5-6-25-18(12)22)8-13(17(16)21)10-26-15-3-1-14(2-4-15)19(23)24/h1-4,7-9,20-21H,5-6,10H2/b12-7+

InChIKey

IBPQZZQVKYXRLG-KPKJPENVSA-N

Smiles

c1cc(ccc1[N+](=O)[O-])SCc2cc(cc(c2O)O)/C=C/3\CCOC3=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4853403,