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20315-46-2

20315-46-2 Structure

20315-46-2 Structure
IdentificationBack Directory
[Name]

5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
[CAS]

20315-46-2
[Synonyms]

b-Ergocryptine
β-Ergocryptine
-β-Ergocryptine
beta-ergocryptine
Bromocriptine Impurity 1
5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
12'-Hydroxy-2'-isopropyl-5'α-[(S)-1-methylpropyl]ergotaman-3',6',18-trione
[5'α(S)]-12'-Hydroxy-2'-(1-Methylethyl)-5'-(1-Methylpropyl)ergotaMan-3',6',18-trione
(5'α)-12'-Hydroxy-2'-(1-Methylethyl)-5'-[(1S)-1-Methylpropyl]ergotaMan-3',6',18-trione
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-[(1S)-1-methylpropyl]-, (5'α)-
[EINECS(EC#)]

243-728-6
[Molecular Formula]

C32H41N5O5
[MDL Number]

MFCD01729363
[MOL File]

20315-46-2.mol
[Molecular Weight]

575.7
Chemical PropertiesBack Directory
[Melting point ]

173° (dec)
[alpha ]

D20 -98° (c = 0.5 in pyridine); -179° (c = 0.5 in chloroform)
[Boiling point ]

861.5±65.0 °C(Predicted)
[density ]

1.38±0.1 g/cm3(Predicted)
[pka]

9.61±0.60(Predicted)
Safety DataBack Directory
[RIDADR ]

1544
[HazardClass ]

6.1(b)
[PackingGroup ]

III
Hazard InformationBack Directory
[Uses]

β-Ergocryptine is an ergopeptine and one of the ergot alkaloids. α-Ergocryptine and β-Ergocryptine are ergot alkaloid impurities in Abergin.
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