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Substance Name: Chalcone, 3-nitro-2',4,4'-trimethoxy-
RN: 30251-89-9
InChIKey: VHRJXKDREMJHPT-XBXARRHUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N-O6

Molecular Weight

  • 343.333
 
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Names and Synonyms

Synonyms

  • 2',4,4'-Trimetossi-3-nitrocalcone
  • 2',4,4'-Trimetossi-3-nitrocalcone [Italian]
  • 3-Nitro-2',4,4'-trimethoxychalcone

Systematic Name

  • Chalcone, 3-nitro-2',4,4'-trimethoxy-

Registry Numbers

CAS Registry Number

  • 30251-89-9

System Generated Number

  • 0030251899

Structure Descriptors

InChI

1S/C18H17NO6/c1-23-13-6-7-14(18(11-13)25-3)16(20)8-4-12-5-9-17(24-2)15(10-12)19(21)22/h4-11H,1-3H3/b8-4+

InChIKey

VHRJXKDREMJHPT-XBXARRHUSA-N

Smiles

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