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Substance Name: Chalcone, 3',5'-dinitro-2',4,4'-trimethoxy-
RN: 30071-40-0
InChIKey: WCLSSGSAUMMORK-GQCTYLIASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-N2-O8

Molecular Weight

  • 388.33
 
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Names and Synonyms

Synonyms

  • 2',4,4'-Trimetossi-3,5'-dinitrocalcone
  • 2',4,4'-Trimetossi-3,5'-dinitrocalcone [Italian]
  • 3',5'-Dinitro-2',4,4'-trimethoxychalcone

Systematic Name

  • Chalcone, 3',5'-dinitro-2',4,4'-trimethoxy-

Registry Numbers

CAS Registry Number

  • 30071-40-0

System Generated Number

  • 0030071400

Structure Descriptors

InChI

1S/C18H16N2O8/c1-26-16-7-5-11(8-13(16)19(22)23)4-6-15(21)12-9-14(20(24)25)18(28-3)10-17(12)27-2/h4-10H,1-3H3/b6-4+

InChIKey

WCLSSGSAUMMORK-GQCTYLIASA-N

Smiles

C(\C=C\c1cc(c(cc1)OC)[N+](=O)[O-])(=O)c1c(cc(c(c1)[N+](=O)[O-])OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   Farmaco, Edizione Scientifica. Vol. 25, Pg. 860, 1970.