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The first note of the fossil now known as Megalosaurus bucklandi was a description of a bone first discovered in 1676 in a limestone quarry near Cornwell. It was described by Robert Plot, then curator of the Ashmolean Museum, Oxford. The description was given in Natural History of Oxfordshire in 1677.

This is believed to be the first fossil bone of any of the broad Dinosaur family. It was the lower extremity of a femur. Its binomial name was changed in the early 1990s, from an earlier name. It was considered that the original bone of the 1670s (unfortunately now only known from a drawing), was too incomplete to form the basis of a formal species description.

Professor William Buckland of Oxford was visited by Georges Cuvier, and the lizard association was then made. Buckland's work continued in the 1820s, of more material, and led to the present name.

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