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Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester
RN: 51081-67-5
InChIKey: PFLSXYQHAIZJPA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-O4

Molecular Weight

  • 246.261
 
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Names and Synonyms

Synonyms

  • 4-Oxo-4H-1-benzopyran-2-carboxylic acid butyl ester
  • 5-18-08-00313 (Beilstein Handbook Reference)
  • BRN 0196518
  • Chromone-2-carboxylic acid butyl ester

Systematic Name

  • 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester

Registry Numbers

CAS Registry Number

  • 51081-67-5

System Generated Number

  • 0051081675

Structure Descriptors

InChI

1S/C14H14O4/c1-2-3-8-17-14(16)13-9-11(15)10-6-4-5-7-12(10)18-13/h4-7,9H,2-3,8H2,1H3

InChIKey

PFLSXYQHAIZJPA-UHFFFAOYSA-N

Smiles

c12c(oc(C(OCCCC)=O)cc1=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2375mg/kg (2375mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 21, Pg. 555, 1958.