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Substance Name: 2H-1-Benzopyran-3-carbonitrile, 5-methoxy-
RN: 57543-72-3
InChIKey: KSVQCKSTIKMJNF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H9-N-O2

Molecular Weight

  • 187.197
 
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Names and Synonyms

Synonyms

  • 5-18-07-00360 (Beilstein Handbook Reference)
  • 5-Methoxy-2H-1-benzopyran-3-carbonitrile
  • BRN 1372920

Systematic Name

  • 2H-1-Benzopyran-3-carbonitrile, 5-methoxy-

Registry Numbers

CAS Registry Number

  • 57543-72-3

System Generated Number

  • 0057543723

Structure Descriptors

InChI

1S/C11H9NO2/c1-13-10-3-2-4-11-9(10)5-8(6-12)7-14-11/h2-5H,7H2,1H3

InChIKey

KSVQCKSTIKMJNF-UHFFFAOYSA-N

Smiles

c12c(OCC(=C2)C#N)cccc1OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 81, 1976.