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CAS No 152-72-7 , 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one

  • Name: 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one
  • Synonyms: Nicumalon; Syncoumar; Sinkumar;4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one; Nicoumalone; Sinthrome; Nitrovarfarian; Nitrowarfarin;Acenocoumarin; Sintrom;
  • CAS Registry Number:
  • Transport: 2811
  • Melting Point: 196-1990C
  • Flash Point: 284.6°C
  • Boiling Point: 546.9°Cat760mmHg
  • Density: 1.427g/cm3
  • Refractive index: 1.656
  • Safety Statements: Poison by intraperitoneal route. Moderately toxic by ingestion. A human teratogen by an unspecified route. When heated to decomposition it emits toxic fumes such as NOx. See also WARFARIN.
  • Flash Point: 284.6°C
  • EINECS: 205-807-3
  • Molecular Weight: 353.3255
  • InchiKey: VABCILAOYCMVPS-UHFFFAOYSA-N
  • InChI: InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-
    4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
  • Molecular Formula: C19H15NO6
  • Molecular Structure:CAS No:152-72-7 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one

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References of 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one
Title: Acenocoumarol
CAS Registry Number: 152-72-7
CAS Name: 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one
Synonyms: 3-(a-acetonyl-p-nitrobenzyl)-4-hydroxycoumarin; 3-(a-p-nitrophenyl-b-acetylethyl)-4-hydroxycoumarin; acenocoumarin; nicoumalone
Manufacturers' Codes: G-23350
Trademarks: Mini-Sintrom (Novartis); Sinthrome (Novartis); Sintrom (Novartis)
Molecular Formula: C19H15NO6
Molecular Weight: 353.33
Percent Composition: C 64.59%, H 4.28%, N 3.96%, O 27.17%
Literature References: Vitamin K antagonist; structurally similar to warfarin, q.v. Prepn: W. Stoll, F. Litvan, US 2648682 (1953 to Geigy); I. C. Ivanov et al., Arch. Pharm. 323, 521 (1990). Resolution and abs config of enantiomers: C. R. Wheeler, W. F. Trager, J. Med. Chem. 22, 1122 (1979). Pharmacology and toxicity: M. Leroux, B. Jamain, Therapie 11, 85 (1956). GC-MS determn in plasma: F. Pommier et al., J. Chromatogr. B 654, 35 (1994). Clinical trial: D. P. M. Brandjes et al., N. Engl. J. Med. 327, 1485 (1992).
Properties: Crystals, mp 196-199°. Sparingly sol in water and most organic solvents. Forms water-sol salt with alkalies. LD50 orally in mice, rats: 1470, 1000 mg/kg (Leroux, Jamain).
Melting point: mp 196-199°
Toxicity data: LD50 orally in mice, rats: 1470, 1000 mg/kg (Leroux, Jamain)
Therap-Cat: Anticoagulant.
Keywords: Anticoagulant.