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Substance Name: Acrylophenone, 3-(5-nitro-2-furyl)-3',4',5'-trimethoxy-
RN: 63421-88-5
InChIKey: AGTQJIQVSWUWEJ-XQRVVYSFSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C16-H15-N-O7

Molecular Weight

  • 333.294
 
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Names and Synonyms

Synonyms

  • 2-Propen-1-one, 3-(5-nitro-2-furanyl)-1-(3,4,5-trimethoxyphenyl)-
  • 3-(5-Nitro-2-furyl)-3',4',5'-trimethoxyacrylophenone
  • BRN 1329940

Systematic Name

  • Acrylophenone, 3-(5-nitro-2-furyl)-3',4',5'-trimethoxy-

Registry Numbers

CAS Registry Number

  • 63421-88-5

System Generated Number

  • 0063421885

Structure Descriptors

InChI

1S/C16H15NO7/c1-21-13-8-10(9-14(22-2)16(13)23-3)12(18)6-4-11-5-7-15(24-11)17(19)20/h4-9H,1-3H3/b6-4-

InChIKey

AGTQJIQVSWUWEJ-XQRVVYSFSA-N

Smiles

c1(c(cc(C(\C=C/c2oc([N+](=O)[O-])cc2)=O)cc1OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1500mg/kg (1500mg/kg)   Bulletin de la Societe de Pharmacie de Bordeaux. Vol. 117, Pg. 101, 1978.