β-Ergocryptine
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β-Ergocryptine
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CAS No:
20315-46-2
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Formula:
C32H41N5O5
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Chemical Name:
β-Ergocryptine
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Synonyms:
Ergotaman-3′,6′,18-trione,12′-hydroxy-2′-(1-methylethyl)-5′-[(1S)-1-methylpropyl]-,(5′α)-;β-Ergocryptine;Ergotaman-3′,6′,18-trione,12′-hydroxy-2′-(1-methylethyl)-5′-(1-methylpropyl)-,[5′α(S)]-;8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine,ergotaman-3′,6′,18-trione deriv.;Indolo[4,3-fg]quinoline,ergotaman-3′,6′,18-trione deriv.;(5′α)-12′-Hydroxy-2′-(1-methylethyl)-5′-[(1S)-1-methylpropyl]ergotaman-3′,6′,18-trione;β-Ergokryptine
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CAS No:
Characteristics
118
1.38±0.1 g/cm3(Predicted)
173 °C (decomp)
D20 -98° (c = 0.5 in pyridine); -179° (c = 0.5 in chloroform)
β-Ergocryptine Use and Manufacturing
β-Ergocryptine is an ergopeptine and one of the ergot alkaloids. α-Ergocryptine and β-Ergocryptine are ergot alkaloid impurities in Abergin.
Computed Properties
Molecular Weight:575.7
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:575.31076943
Monoisotopic Mass:575.31076943
Topological Polar Surface Area:118
Heavy Atom Count:42
Complexity:1190
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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