Home > Name List By e > Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a)-

CAS No 511-09-1 , Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a)-

  • Name: Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (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.; a-Ergokryptine; a-Ergocryptine; NSC 407319;Ergocryptine(6CI,8CI);Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a)-;Ergokryptine; NSC 169479;
  • CAS Registry Number:
  • Transport: UN 1544 6.1/PG 3
  • Flash Point: 475°C
  • Boiling Point: 861.7°Cat760mmHg
  • Density: 1.38g/cm3
  • Refractive index: 1.68
  • Safety Statements: Poison by intravenous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
  • Hazard Symbols: Xn
  • Flash Point: 475°C
  • EINECS: 208-121-2
  • Molecular Weight: 575.78
  • InChI: InChI=1/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25?,26+,31?,32?/m1/s1
  • Risk Statements: 62
  • Molecular Formula: C32H41 N5 O5
  • Molecular Structure:CAS No:511-09-1 Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a)-

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References of Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a)-
Title: Ergocryptine
Synonyms: Ergokryptine
Molecular Formula: C32H41N5O5
Molecular Weight: 575.70
Percent Composition: C 66.76%, H 7.18%, N 12.16%, O 13.90%
Literature References: Two closely related isomers of the ergotoxine group which differ in the peptide portion of the molecule; a-ergocryptine yielding L-leucine upon hydrolysis, b-ergocryptine yielding L-isoleucine. The ergocryptine discussed in the literature prior to 1967 is now referred to as a-ergocryptine. 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). Separation of b-ergocryptine from a-ergocryptine: Schlientz et al., Experientia 23, 991 (1967); see also eidem, Pharm. Acta Helv. 43, 497 (1968). Synthesis of a- and b-ergocryptine: Stadler et al., Helv. Chim. Acta 52, 1549 (1969).
 
Derivative Type: a-Ergocryptine
CAS Registry Number: 511-09-1
CAS Name: (5￠a)-12￠-Hydroxy-2￠-(1-methylethyl)-5￠-(2-methylpropyl)ergotaman-3￠,6￠,18-trione
Properties: Solvated prisms from acetone, benzene, methanol. With MeOH of crystn, mp 212° (dec). [a]D20 -120° (pyridine); -198° (chloroform). uv max (methanol): 241, 312.5 nm (log e 4.31, 3.95). Freely sol in alcohol, chlorofom. Almost insol in water.
Melting point: mp 212° (dec)
Optical Rotation: [a]D20 -120° (pyridine); -198° (chloroform)
Absorption maximum: uv max (methanol): 241, 312.5 nm (log e 4.31, 3.95)
 
Derivative Type: b-Ergocryptine
CAS Registry Number: 20315-46-2
CAS Name: [5￠a(S)]-12￠-Hydroxy-2￠-(1-methylethyl)-5￠-(1-methylpropyl)ergotaman-3￠,6￠,18-trione
Properties: Rectangular plates from benzene, mp 173° (dec). [a]D20 -98° (c = 0.5 in pyridine); -179° (c = 0.5 in chloroform). uv max (methanol): 312 (log e 3.93).
Melting point: mp 173° (dec)
Optical Rotation: [a]D20 -98° (c = 0.5 in pyridine); -179° (c = 0.5 in chloroform)
Absorption maximum: uv max (methanol): 312 (log e 3.93)
 
Therap-Cat: See Ergot.
Keywords: Antimigraine.