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CAS No 465-21-4 , Bufalin

  • Name: Bufalin
  • Synonyms: Bufalin;BUFALIN 90%, 99%;3-b,14-Dihydroxy-5-beta-bufa-20,22-dienolide; 3,14-dihydroxybufa-20,22-dienolide;
  • CAS Registry Number:
  • Transport: UN 3462
  • Melting Point: 242 - 243
  • Density: 1.226 g/cm3
  • Refractive index: 1.593
  • Safety Statements: 28-36/37-45
  • Hazard Symbols: T+: Very toxic;
  • Molecular Weight: 386.52
  • InChI: InChI=1/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19?,20?,22+,23-,24+/m1/s1
  • Risk Statements: 28
  • Molecular Formula: C24H34O4
  • Molecular Structure:CAS No:465-21-4 Bufalin

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465-21-4 BUFALIN

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References of Bufalin
Title: Bufalin
CAS Registry Number: 465-21-4
CAS Name: (3b,5b)-3,14-Dihydroxybufa-20,22-dienolide
Molecular Formula: C24H34O4
Molecular Weight: 386.52
Percent Composition: C 74.58%, H 8.87%, O 16.56%
Literature References: Cardiotonic steroid constituent of Ch'an Su (also called Senso), a galenical preparation of the dried venom of the Chinese toad, Bufo bufo gargarizans. Isoln and characterization: M. Kotake, K. Kuwada, Sci. Papers Inst. Phys. Chem. Res. Jpn. 36, 106 (1939), C.A. 33, 73049 (1939); K. Meyer, Helv. Chim. Acta 32, 1238 (1949). Structure: K. Kuwada, J. Chem. Soc. Jpn. 60, 335 (1939), C.A. 35, 511239 (1941). Prepn from resibufogenin, q.v.: H. Kondo, S. Ohno, US 3134772 (1964); from digitoxigenin, q.v.: G. R. Pettit et al., US 3687944 (1972). Total synthesis: F. Sondheimer et al., J. Am. Chem. Soc. 91, 1228 (1969). Additional syntheses: G. R. Pettit et al., J. Org. Chem. 35, 2895 (1970); Y. Kamano, G. R. Pettit, ibid. 38, 222 (1973); E. Yoshii et al., Chem. Pharm. Bull. 25, 2249 (1977); K. Wiesner et al., Helv. Chim. Acta 66, 2632 (1983). Pharmacology: S. Yoshida, T. Sakai, Jpn. J. Pharmacol. 23, 859 (1973); 24, 97 (1974).
Properties: Needles from methanol/chloroform, mp 242-243°. [a]D -20°. uv max (ethanol): 298 nm (log e 3.77).
Melting point: mp 242-243°
Optical Rotation: [a]D -20°
Absorption maximum: uv max (ethanol): 298 nm (log e 3.77)
 
Derivative Type: Sodium sulfate
Synonyms: Sodium bufalin-3-sulfate
Molecular Formula: C24H33NaO7S
Molecular Weight: 488.57
Percent Composition: C 59.00%, H 6.81%, Na 4.71%, O 22.92%, S 6.56%
Properties: Isoln from Japanese toad Bufo vulgaris formosus: K. Shimada et al., Tetrahedron Lett. 1974, 2767. Colorless amorphous solid, mp 165.5-166.5°. [a]D23 -33.1° (c = 0.05 in methanol).
Melting point: mp 165.5-166.5°
Optical Rotation: [a]D23 -33.1° (c = 0.05 in methanol)