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

CAS No 511-08-0 , Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'a)-

  • Name: Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'a)-
  • Synonyms: NSC 93743;EINECS 208-120-7; 5'-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)ergotaman; BRN 0079046;Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'a)-;
  • CAS Registry Number:
  • Transport: 1544
  • Melting Point: 155-157 °C(lit.)
  • Flash Point: 505.8°C
  • Boiling Point: 912.8°Cat760mmHg
  • Density: 1.43g/cm3
  • Refractive index: 1.721
  • Safety Statements: 22-36/37/39-45
  • Hazard Symbols: T
  • Flash Point: 505.8°C
  • EINECS: 208-120-7
  • Molecular Weight: 609.71466
  • InchiKey: HEFIYUQVAZFDEE-UHFFFAOYSA-N
  • InChI: InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22
    (18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-
    14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,
    17,19H2,1-3H3,(H,37,41)
  • Risk Statements: 23/24/25
  • Molecular Formula: C35H39N5O5
  • Molecular Structure:CAS No:511-08-0 Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'a)-

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References of Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'a)-
Title: Ergocristine
CAS Registry Number: 511-08-0
CAS Name: (5￠a)-12￠-Hydroxy-2￠-(1-methylethyl)-5￠-(phenylmethyl)ergotaman-3￠,6￠,18-trione
Molecular Formula: C35H39N5O5
Molecular Weight: 609.71
Percent Composition: C 68.95%, H 6.45%, N 11.49%, O 13.12%
Literature References: Natural ergot alkaloid derived from lysergic acid; a member of the ergotoxine group. Isoln from ergot: Stoll, Burckhardt, Z. Physiol. Chem. 250, 1 (1937); 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).
Properties: Orthorhombic crystals with 2C6H6 from benzene. mp 155-157° (dec) (solvent-free base). [a]D20 -183° (chloroform). Very sol in ethyl and methyl alcohol, acetone, chloroform, ethyl acetate. Slightly sol in ether. Practically insol in water, petr ether.
Melting point: mp 155-157° (dec) (solvent-free base)
Optical Rotation: [a]D20 -183° (chloroform)
 
Derivative Type: Phosphate
CAS Registry Number: 6424-36-8
Properties: Crystals, dec 195°.
 
Derivative Type: Ethanesulfonate
CAS Registry Number: 6055-56-7
Properties: Crystals, dec 207°.
 
Derivative Type: 8a-isomer
CAS Registry Number: 511-07-9
Synonyms: Ergocristinine
Properties: Crystallizes solvent-free, unlike ergocristine which tends to retain the solvent of crystn. Long prisms from abs alc, mp 226° (dec). [a]D20 +366° (c = 0.68 in chloroform); +471° (c = 0.35 in pyridine). uv max (methanol/methylene chloride): 313 nm (log e 3.96). Much less sol than ergocristine. Does not seem to form salts.
Melting point: mp 226° (dec)
Optical Rotation: [a]D20 +366° (c = 0.68 in chloroform); +471° (c = 0.35 in pyridine)
Absorption maximum: uv max (methanol/methylene chloride): 313 nm (log e 3.96)