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478-94-4

478-94-4 Structure

478-94-4 Structure
IdentificationBack Directory
[Name]

9,10-didehydro-6-methylergoline-8beta-carboxamide
[CAS]

478-94-4
[Synonyms]

Methylergometrine Maleate - Impurity C
9,10-didehydro-6-methylergoline-8beta-carboxamide
Ergoline-8-carboxamide, 9,10-didehydro-6-methyl-, (8β)-
[EINECS(EC#)]

207-524-0
[Molecular Formula]

C16H17N3O
[MOL File]

478-94-4.mol
[Molecular Weight]

267.33
Chemical PropertiesBack Directory
[Melting point ]

>200°C (dec.)
[alpha ]

205461 +15° (c = 0.5 in pyridine)
[Boiling point ]

410.51°C (rough estimate)
[density ]

1.0724 (rough estimate)
[refractive index ]

1.7210 (estimate)
[storage temp. ]

Amber Vial, -20°C Freezer, Under Inert Atmosphere
[pka]

15.87±0.20(Predicted)
Hazard InformationBack Directory
[Chemical Properties]

Brown Solid
[Uses]

An alkaloid in abundance in tall fescue, resulted in vasoconstriction similar to that previously shown for the ergot alkaloids ergonovine and ergotamine.
[Definition]

ChEBI: An ergoline alkaloid comprising ergoline lacking hydrogens at positions 9 and 10 and also having a methyl group attached to the piperidine nitrogen.
[Purification Methods]

The (-)-hydrochloride has m 208-210o(dec, from MeOH). [Kornfeld et al. J Am Chem Soc 76 5256 1954, Kornfeld et al. J Am Chem Soc 78 3087 1956, Beilstein 25 III/IV 934,]
Safety DataBack Directory
[Toxicity]

TDLo oral in human: 14ug/kg
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