ChemicalBook--->CAS DataBase List--->564-36-3

564-36-3

564-36-3 Structure

564-36-3 Structure
IdentificationBack Directory
[Name]

ERGOCORNINE
[CAS]

564-36-3
[Synonyms]

ergocornin
NSC 407316
ERGOCORNINE
Ergot Cornyn
ERGOCORNINE USP/EP/BP
ERGOCORNINE >95% DOPAMINE RECEPTOR AGO
12'-Hydroxy-2',5'α-diisopropylergotaman-3',6',18-trione
12′-Hydroxy-2′,5′-α-bis(1-methyl-ethyl)ergotaman-3′,6′,18-trion
12′-Hydroxy-2′,5′-α-bis(1-methyl-ethyl)ergotaman-3′,6′,18-trione
(5'α)-12'-Hydroxy-2',5'-bis(1-Methylethyl)ergotaMan-3',6',18-trione
12'-HYDROXY-2',5'-ALPHA-BIS(1-METHYL-ETHYL)ERGOTAMAN-3',6',18-TRIONE
18-trione,12’-hydroxy-2’,5’-bis(1-methylethyl)-6(5’-alpha)-ergotaman-3
(5'alpha)-12'-Hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione
Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'α)-
[EINECS(EC#)]

209-272-7
[Molecular Formula]

C31H39N5O5
[MDL Number]

MFCD00274574
[MOL File]

564-36-3.mol
[Molecular Weight]

561.67
Chemical PropertiesBack Directory
[Melting point ]

182-184℃ (decomposition) (methanol )
[alpha ]

D20 -110° (pyridine); -175° (chloroform)
[Boiling point ]

628.48°C (rough estimate)
[density ]

1.1897 (rough estimate)
[refractive index ]

1.7500 (estimate)
[solubility ]

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.4 mg/mL
[form ]

solid
[pka]

9.58±0.60(Predicted)
[color ]

white
[CAS DataBase Reference]

564-36-3
Safety DataBack Directory
[RIDADR ]

UN 1544 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

KE7630000
[HazardClass ]

6.1(b)
[PackingGroup ]

III
Hazard InformationBack Directory
[Uses]

Ergocornine is a natural ergot alkaloid derived from lysergic acid. Ergocornine is a component of Ergotoxine. Ergocornine was isolated from Ergot.
[Definition]

ChEBI: Ergotaman bearing a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.
[Purification Methods]

It crystallises with solvent of crystallisation from MeOH. [Stadler et al. Helv Chim Acta 52 1549 1969, Beilstein 25 III/IV 963, 27 II 860.]
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