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Substance Name: 2H-1-Benzopyran-2-one, 4-(acetyloxy)-3-(1-(4-nitrophenyl)-3-oxobutyl)-
RN: 63986-29-8
InChIKey: DWIPOVRLZXACPE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H17-N-O7

Molecular Weight

  • 395.3653
 
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Names and Synonyms

Synonyms

  • 4-(Acetyloxy)-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one
  • 4-Acetoxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one

Systematic Name

  • 2H-1-Benzopyran-2-one, 4-(acetyloxy)-3-(1-(4-nitrophenyl)-3-oxobutyl)-

Registry Numbers

CAS Registry Number

  • 63986-29-8

System Generated Number

  • 0063986298

Structure Descriptors

InChI

1S/C21H17NO7/c1-12(23)11-17(14-7-9-15(10-8-14)22(26)27)19-20(28-13(2)24)16-5-3-4-6-18(16)29-21(19)25/h3-10,17H,11H2,1-2H3

InChIKey

DWIPOVRLZXACPE-UHFFFAOYSA-N

Smiles

CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(c3ccccc3oc2=O)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1331mg/kg (1331mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 30, Pg. 531, 1995.
mouse LD50 oral > 5gm/kg (5000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 30, Pg. 531, 1995.