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Substance Name: 5,6-Benzocoumarin-3-carboxylic acid ethyl ester
RN: 734-88-3
InChIKey: FYOZSKRVTISLHE-UHFFFAOYSA-N

Note

  • Optical bleaching agent & anticoagulant.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-O4

Molecular Weight

  • 268.2668
 
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Names and Synonyms

Name of Substance

  • 5,6-Benzocoumarin-3-carboxylic acid ethyl ester

Synonyms

  • 3-Carboxy-2H-naphtho(2,1-b)pyran-2-one, ethyl ester
  • 3-Oxo-3H-naphtho(2,1-b)pyran-2-carboxylic acid ethyl ester
  • 5,6-Benzocoumarin-3-carboxylic acid ethyl ester
  • 5,6-Benzocumarin-3-carbonic acid ethyl ether
  • 5-18-08-00444 (Beilstein Handbook Reference)
  • Belophar KLA
  • BRN 0234987
  • Compound 13-61
  • EINECS 211-997-9
  • Optical bleach 13-61

Systematic Names

  • 3H-Naphtho(2,1-b)pyran-2-carboxylic acid, 3-oxo-, ethyl ester
  • Ethyl 5,6-benzocoumarin-3-carboxylate

Registry Numbers

CAS Registry Number

  • 734-88-3

System Generated Number

  • 0000734883

Structure Descriptors

InChI

1S/C16H12O4/c1-2-19-15(17)13-9-12-11-6-4-3-5-10(11)7-8-14(12)20-16(13)18/h3-9H,2H2,1H3

InChIKey

FYOZSKRVTISLHE-UHFFFAOYSA-N

Smiles

CCOC(=O)c1cc2c3ccccc3ccc2oc1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 590mg/kg (590mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 85, 1984.
rat LD50 oral 1580mg/kg (1580mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 85, 1984.