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CAS No 564-36-3 , Ergotaman-3',6',18-trione,12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'a)- Search by region : Norway

  • Name: Ergotaman-3',6',18-trione,12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'a)-
  • Synonyms: 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3',6',18-trionederiv.; Indolo[4,3-fg]quinoline, ergotaman-3',6',18-trione deriv.;NSC 407316;Ergocornine(6CI,7CI,8CI); Ergocornin;Ergotaman-3',6',18-trione,12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'a)-;
  • CAS Registry Number:
  • Transport: UN 1544 6.1/PG 3
  • Flash Point: 472.9°C
  • Boiling Point: 858.3°Cat760mmHg
  • Density: 1.4g/cm3
  • Refractive index: 1.689
  • Safety Statements: Poison by intravenous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
  • Flash Point: 472.9°C
  • EINECS: 209-272-7
  • Molecular Weight: 561.75
  • InChI: InChI=1/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1
  • Molecular Formula: C31H39 N5 O5
  • Molecular Structure:CAS No:564-36-3 Ergotaman-3',6',18-trione,12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'a)-

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564-36-3 ERGOCORNINE

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References of Ergotaman-3',6',18-trione,12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'a)-
Title: Ergocornine
CAS Registry Number: 564-36-3
CAS Name: (5￠a)-12￠-Hydroxy-2￠,5￠-bis(1-methylethyl)ergotaman-3￠,6￠,18-trione
Molecular Formula: C31H39N5O5
Molecular Weight: 561.67
Percent Composition: C 66.29%, H 7.00%, N 12.47%, O 14.24%
Literature References: Natural ergot alkaloid derived from lysergic acid; component of ergotoxine, q.v. Isoln from ergot: Stoll, Hofmann, Helv. Chim. Acta 26, 1570 (1943). Structure: Stoll et al., ibid. 34, 1544 (1951). Separation and purification: Stoll, Hofmann, US 2447214 (1948 to Sandoz). Synthesis: Stadler et al., Helv. Chim. Acta 52, 1549 (1969). Determn in ergot by capillary electrophoresis: K. Frach, G. Blaschke, J. Chromatogr. A 808, 247 (1998).
Properties: Solvated, polyhedra from methanol, dec 181° (contains 1 mole methanol). [a]D20 -110° (pyridine); -175° (chloroform). uv max (methanol): 311 nm (log e 3.91). Soluble in acetone, chloroform, ethyl acetate; slightly sol in ethyl and methyl alcohol. Nearly insol in water.
Optical Rotation: [a]D20 -110° (pyridine); -175° (chloroform)
Absorption maximum: uv max (methanol): 311 nm (log e 3.91)
 
Derivative Type: 8a-Epimer
CAS Registry Number: 564-37-4
Synonyms: Ergocorninine
Properties: Prisms from alc, dec 228°. [a]D20 +409° (chloroform). uv max (methanol): 240.5, 312.5 (log e 4.31, 3.92). Soluble in 15 parts boiling ethanol, 25 parts boiling methanol, 30 parts boiling benzene, 30 parts boiling ethyl acetate; freely sol in acetone, chloroform. Practically insol in water.
Optical Rotation: [a]D20 +409° (chloroform)
Absorption maximum: uv max (methanol): 240.5, 312.5 (log e 4.31, 3.92)