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Substance Name: 4-Hydroxycoumarin
RN: 1076-38-6
UNII: X954ZLL2RD
InChIKey: VXIXUWQIVKSKSA-UHFFFAOYSA-N

Molecular Formula

  • C9-H6-O3

Molecular Weight

  • 162.1434
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxycoumarin

Synonyms

  • 4-Coumarinol
  • 4-Hydroxycoumarin
  • 5-18-01-00378 (Beilstein Handbook Reference)
  • AI3-52393
  • Benzotetronic acid
  • BRN 0129768
  • Coumarin, 4-hydroxy-
  • EINECS 214-060-2
  • NSC 11889
  • UNII-X954ZLL2RD

Systematic Names

  • 2H-1-Benzopyran-2-one, 4-hydroxy-
  • 4-Hydroxycoumarin
  • Coumarin, 4-hydroxy- (8CI)

Registry Numbers

CAS Registry Number

  • 1076-38-6

FDA UNII

  • X954ZLL2RD

System Generated Number

  • 0001076386

Structure Descriptors

InChI

1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H

InChIKey

VXIXUWQIVKSKSA-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(cc(=O)o2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 2, Pg. 109, 1946.
mouse LD50 oral 2gm/kg (2000mg/kg)   Medicina et Pharmacologia Experimentalis. Vol. 17, Pg. 497, 1967.
mouse LD50 subcutaneous 750mg/kg (750mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 126, 1960.