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Substance Name: 2H-1-Benzopyran, 3-acetyl-5-methoxy-
RN: 57543-57-4
InChIKey: PHHYREOGDIICJT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-O3

Molecular Weight

  • 204.224
 
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Names and Synonyms

Synonyms

  • 1-(5-Methoxy-2H-1-benzopyran-3-yl)ethanone
  • 5-18-01-00465 (Beilstein Handbook Reference)
  • 5-Methoxy-2H-1-benzopyran-3-yl methyl ketone
  • BRN 1246685
  • Ketone, 5-methoxy-2H-1-benzopyran-3-yl methyl

Systematic Names

  • 2H-1-Benzopyran, 3-acetyl-5-methoxy-
  • Ethanone, 1-(5-methoxy-2H-1-benzopyran-3-yl)- (9CI)

Registry Numbers

CAS Registry Number

  • 57543-57-4

System Generated Number

  • 0057543574

Structure Descriptors

InChI

1S/C12H12O3/c1-8(13)9-6-10-11(14-2)4-3-5-12(10)15-7-9/h3-6H,7H2,1-2H3

InChIKey

PHHYREOGDIICJT-UHFFFAOYSA-N

Smiles

c12c(OCC(=C2)C(C)=O)cccc1OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 81, 1976.