| Identification | Back Directory | [Name]
AGROCLAVINE | [CAS]
548-42-5 | [Synonyms]
NSC 93132
Agroclavin
AGROCLAVINE
8,9-didehydro-6,8-dimethylergoline
8,9-didehydro-6,8-dimethyl-ergolin
ERGOLINE,8,9-DIDEHYDRO-6,8-DIMETHYL- | [EINECS(EC#)]
208-947-3 | [Molecular Formula]
C16H18N2 | [MDL Number]
MFCD00274572 | [MOL File]
548-42-5.mol | [Molecular Weight]
238.33 |
| Chemical Properties | Back Directory | [Melting point ]
198-208℃ (decomposition) (ethyl ether ) | [alpha ]
D20 -155° (c = 0.9 in chloroform); D20 -182° (c = 0.5 in pyridine) | [Boiling point ]
370.93°C (rough estimate) | [density ]
0.9597 (rough estimate) | [refractive index ]
1.5000 (estimate) | [storage temp. ]
Refrigerator, under inert atmosphere | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
17.49±0.40(Predicted) | [color ]
Pale Beige |
| Hazard Information | Back Directory | [Uses]
Agroclavine is an ergot alkaloid and a fungal metabolite. It is also an environmental and food contaminant. | [Definition]
ChEBI: An ergot alkaloid that is ergoline which contains a double bond between positions 8 and 9, and which is substituted by methyl groups at positions 6 and 8. | [Purification Methods]
It crystallises from diethyl ether or Me2CO. The hydrochloride crystallises from H2O and has m 265-266o, [] 20 -110o (CHCl3). [Plieninger et al. Justus Liebigs Ann Chem 743 95 1971,Beilstein 23 III/IV 1623.] |
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