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CAS No 8006-25-5 , Ergotoxine

  • Name: Ergotoxine
  • Synonyms: LS-64562; 8006-25-5; SureCN3009864;Ecboline;Ergotoxine; AC1MJ1S3; Ergotoxin;
  • CAS Registry Number:
  • Transport: 1544
  • Flash Point: 477.1°C
  • Boiling Point: 865.2°C at 760 mmHg
  • Density: 1.47g/cm3
  • Refractive index: 1.722
  • Safety Statements: Poison by intravenous and subcutaneous routes. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Flash Point: 477.1°C
  • Molecular Weight: 519.59212
  • InchiKey: XLMJRFCCCWFQRE-SJRQCXNHSA-N
  • InChI: InChI=1S/C28H33N5O5/c1-15(2)27(26(36)33-14-23(34)32-9-5-8-22(32)28(33,
    37)38-27)30-25(35)17-10-19-18-6-4-7-20-24(18)16(12-29-20)11-21(19)31(3)
    13-17/h4,6-7,10,12,15,17,21-22,29,37H,5,8-9,11,13-14H2,1-3H3,(H,30,
    35)/t17-,21-,22+,27-,28+/m1/s1
  • Molecular Formula: C28H33N5O5
  • Molecular Structure:CAS No:8006-25-5 Ergotoxine
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References of Ergotoxine
Title: Ergotoxine
CAS Registry Number: 8006-25-5
Trademarks: Ecboline
Literature References: A mixture of ergocornine, ergocristine, and ergocryptine, q.q.v., with oxytocic activity. See also the isomeric ergotinine mixture. Prepn: Barger, Carr, J. Chem. Soc. 91, 337 (1907); Smith, Timmis, ibid. 1930, 1390; Kofler, Arch. Pharm. 275, 455 (1937); Stoll, Hofmann, Helv. Chim. Acta 26, 1570 (1943); Pitra, Sapara, Cesk. Farm. 5, 585 (1956), C.A. 51, 8369f (1957). Toxicity data: H. Kreitmair, Arch. Exp. Pathol. Pharmakol. 176, 171 (1934).
Properties: Orthorhombic crystals with 2C6H6 from benzene. The solvent of crystn is given up only after long drying and heating in high vacuum. mp ~190° (dec) (solvent-free base). [a]D20 -197° (chloroform). Very sol in ethyl and methyl alcohol, acetone, chloroform, ethyl acetate; slightly sol in ether. Almost insol in water, petr ether. LD in mice (mg/kg): 0.107 s.c.; 0.032 i.v. (Kreitmair).
Melting point: mp ~190° (dec) (solvent-free base)
Optical Rotation: [a]D20 -197° (chloroform)
Toxicity data: LD in mice (mg/kg): 0.107 s.c.; 0.032 i.v. (Kreitmair)
 
Derivative Type: Ergotoxine phosphate
Properties: Clusters of needles, dec 187°. Sol in 320 parts water, 15 parts boiling alcohol.
 
Derivative Type: Ergotoxine ethanesufonate
Properties: Acicular crystals, dec 209°. Sol in methanol; slightly in alcohol. Almost insol in water. Solid and solns are sensitive to light and air.